AF-399/41345830
TL;DR: AF-399/41345830 (CAS 494826-02-7) is a chemical compound with molecular formula C21H22N4O3S2 and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AF-399/41345830, ethyl 4-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetyl}amino)benzoate, ethyl 4-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate, ethyl 4-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, ETHYL 4-({2-[(4-AMINO-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETYL}AMINO)BENZOATE
| Molecular Formula | C21H22N4O3S2 |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 4.0598 |
| Topological Polar Surface Area | 107.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.11334 |
| Heavy Atoms | 30 |
| Complexity | 1095.8197 |
Chemical Identifiers
| CAS Number | 494826-02-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C3C4=C(CCCC4)SC3=N2)N |
Product Overview
AF-399/41345830 (CAS 494826-02-7), with molecular formula C21H22N4O3S2 and molecular weight 442.11 g/mol. IUPAC: ethyl 4-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AF-399/41345830
Property Insights of AF-399/41345830
The XLogP value of 4.0598 indicates that AF-399/41345830 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41345830. Following Lipinski's Rule of Five, AF-399/41345830 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-399/41345830?
The CAS number of AF-399/41345830 is 494826-02-7.
What is the molecular formula of AF-399/41345830?
The molecular formula of AF-399/41345830 is C21H22N4O3S2.
What is the molecular weight of AF-399/41345830?
The molecular weight of AF-399/41345830 is 442.11 g/mol.
Where can I buy AF-399/41345830?
You can request a quote for AF-399/41345830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41345830?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41345830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.