AF-399/40851324
TL;DR: AF-399/40851324 (CAS 379236-74-5) is a chemical compound with molecular formula C31H27N3O4S3 and molecular weight 601.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AF-399/40851324, F1174-3049, methyl 2-[[2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-(2-((4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[2-({4-oxo-3,5-diphenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C31H27N3O4S3 |
|---|---|
| Molecular Weight | 601.12 g/mol |
| LogP | 6.962 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 601.1164 |
| Heavy Atoms | 41 |
| Complexity | 1792.4565 |
Chemical Identifiers
| CAS Number | 379236-74-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3C6=CC=CC=C6 |
Product Overview
AF-399/40851324 (CAS 379236-74-5), with molecular formula C31H27N3O4S3 and molecular weight 601.12 g/mol. IUPAC: methyl 2-[[2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40851324
Property Insights of AF-399/40851324
The XLogP value of 6.962 indicates that AF-399/40851324 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851324. Following Lipinski's Rule of Five, AF-399/40851324 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40851324?
The CAS number of AF-399/40851324 is 379236-74-5.
What is the molecular formula of AF-399/40851324?
The molecular formula of AF-399/40851324 is C31H27N3O4S3.
What is the molecular weight of AF-399/40851324?
The molecular weight of AF-399/40851324 is 601.12 g/mol.
Where can I buy AF-399/40851324?
You can request a quote for AF-399/40851324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851324?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.