AF-399/41488657
TL;DR: AF-399/41488657 (CAS 489464-95-1) is a chemical compound with molecular formula C21H23N3O4S3 and molecular weight 477.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/41488657, ethyl 2-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H23N3O4S3 |
|---|---|
| Molecular Weight | 477.09 g/mol |
| LogP | 4.44924 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.08508 |
| Heavy Atoms | 31 |
| Complexity | 1224.8912 |
Chemical Identifiers
| CAS Number | 489464-95-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C(=C(S4)C)C)C(=O)N3 |
Product Overview
AF-399/41488657 (CAS 489464-95-1), with molecular formula C21H23N3O4S3 and molecular weight 477.09 g/mol. IUPAC: ethyl 2-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/41488657
Property Insights of AF-399/41488657
The XLogP value of 4.44924 indicates that AF-399/41488657 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41488657. Following Lipinski's Rule of Five, AF-399/41488657 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41488657?
The CAS number of AF-399/41488657 is 489464-95-1.
What is the molecular formula of AF-399/41488657?
The molecular formula of AF-399/41488657 is C21H23N3O4S3.
What is the molecular weight of AF-399/41488657?
The molecular weight of AF-399/41488657 is 477.09 g/mol.
Where can I buy AF-399/41488657?
You can request a quote for AF-399/41488657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41488657?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41488657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.