AF-399/40827737
TL;DR: AF-399/40827737 (CAS 379237-19-1) is a chemical compound with molecular formula C25H29N3O3S2 and molecular weight 483.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methoxyphenyl)ethyl]-2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: AF-399/40827737, N-[2-(4-methoxyphenyl)ethyl]-2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 2-[(3-allyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide, N-[2-(4-methoxyphenyl)ethyl]-2-(7-methyl-4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahy drobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
| Molecular Formula | C25H29N3O3S2 |
|---|---|
| Molecular Weight | 483.17 g/mol |
| LogP | 4.2284 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.16504 |
| Heavy Atoms | 33 |
| Complexity | 1214.3456 |
Chemical Identifiers
| CAS Number | 379237-19-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCCC4=CC=C(C=C4)OC)CC=C |
Product Overview
AF-399/40827737 (CAS 379237-19-1), with molecular formula C25H29N3O3S2 and molecular weight 483.17 g/mol. IUPAC: N-[2-(4-methoxyphenyl)ethyl]-2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AF-399/40827737
Property Insights of AF-399/40827737
The XLogP value of 4.2284 indicates that AF-399/40827737 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40827737. Following Lipinski's Rule of Five, AF-399/40827737 has 1 hydrogen bond donor(s) and 6 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-399/40827737?
The CAS number of AF-399/40827737 is 379237-19-1.
What is the molecular formula of AF-399/40827737?
The molecular formula of AF-399/40827737 is C25H29N3O3S2.
What is the molecular weight of AF-399/40827737?
The molecular weight of AF-399/40827737 is 483.17 g/mol.
Where can I buy AF-399/40827737?
You can request a quote for AF-399/40827737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40827737?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40827737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.