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AJ-292/14559299 is available in 22 mg

Compound details
Formula:		C23 H26 N2 O3 S2
Weight:		442.6
Chiral info:		Not available
Name:		6-ethyl-3-(4-methoxyphenyl)-6-methyl-2-[(2-methyl-2-propenyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
SMILES:		CCC1(C)(Cc3c(CO1)sc4N=C(N(c2ccc(cc2)OC)C(=O)c34)SCC(C)=C)
InChI^TM:		InChI=1S/C23H26N2O3S2/c1-6-23(4)11-17-18(12-28-23)30-20-19(17)21(26)25(22(24-20)29-13-14(2)3)15-7-9-16(27-5)10-8-15/h7-10H,2,6,11-13H2,1,3-5H3
InChIKey^TM:		JOIBVMCNLGRXAE-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		188000 mg/Kg
Chronic LOAEL:		38.9 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	6.56	H-acceptors: 4
LogS:	-8.02
tPSA:	104.67 Å²	Rotatable bonds: 6

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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.