Specs - Compound Management services and Research Compounds for the Life Science industry

Specs ID search result

AE-641/30109055 is available in 2037 mg

Compound details
MDL #:		MFCD01703937
Formula:		C25 H24 Cl2 N2 S
Weight:		455.45
Salt Data:		2 CH3SO3H
Chiral info:		Not available
Name:		1-benzyl-4-(2,7-dichloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine
SMILES:		c1ccc(cc1)CN2CCN(CC2)C4Cc3cc(ccc3Sc5cc(ccc45)Cl)Cl
InChI^TM:		InChI=1S/C25H24Cl2N2S/c26-20-7-9-24-19(14-20)15-23(22-8-6-21(27)16-25(22)30-24)29-12-10-28(11-13-29)17-18-4-2-1-3-5-18/h1-9,14,16,23H,10-13,15,17H2
InChIKey^TM:		XLSBPHGLPITZQG-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		869 mg/Kg
Chronic LOAEL:		16.3 mg/Kg
Developmental Toxicity Potential:		0.99

Chemical properties calculations
LogP:	6.99	H-acceptors: 2
LogS:	-8.59
tPSA:	31.78 Å²	Rotatable bonds: 3

Purchase 10 mg of AE-641/30109055 for only 20 USD after login to Specs.net! Receive your compounds in clear glass vials within 5 working days after ordering via Specs.net. Please logon to Specs.net using your personal account or register as new user here.

Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.