AF-399/40850921
TL;DR: AF-399/40850921 (CAS 379239-69-7) is a chemical compound with molecular formula C27H21N3O5S3 and molecular weight 563.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AF-399/40850921, F1174-3126, methyl 2-[[2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(2-((5-(furan-2-yl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(2-{[5-(furan-2-yl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C27H21N3O5S3 |
|---|---|
| Molecular Weight | 563.06 g/mol |
| LogP | 5.7748 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.06433 |
| Heavy Atoms | 38 |
| Complexity | 1718.3251 |
Chemical Identifiers
| CAS Number | 379239-69-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3C6=CC=CC=C6 |
Product Overview
AF-399/40850921 (CAS 379239-69-7), with molecular formula C27H21N3O5S3 and molecular weight 563.06 g/mol. IUPAC: methyl 2-[[2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40850921
Property Insights of AF-399/40850921
The XLogP value of 5.7748 indicates that AF-399/40850921 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40850921. Following Lipinski's Rule of Five, AF-399/40850921 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40850921?
The CAS number of AF-399/40850921 is 379239-69-7.
What is the molecular formula of AF-399/40850921?
The molecular formula of AF-399/40850921 is C27H21N3O5S3.
What is the molecular weight of AF-399/40850921?
The molecular weight of AF-399/40850921 is 563.06 g/mol.
Where can I buy AF-399/40850921?
You can request a quote for AF-399/40850921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40850921?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40850921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.