AF-399/41945557
TL;DR: AF-399/41945557 (CAS 612802-47-8) is a chemical compound with molecular formula C23H26N4O4S3 and molecular weight 518.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
Also Known As: AF-399/41945557, 4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide, 4-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[4-(aminosulfonyl)phenyl]butanamide, 4-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2 -ylthio))-N-(4-sulfamoylphenyl)butanamide, 4-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(4-sulfamoylphenyl)butanamide
| Molecular Formula | C23H26N4O4S3 |
|---|---|
| Molecular Weight | 518.11 g/mol |
| LogP | 3.6812 |
| Topological Polar Surface Area | 124.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.11163 |
| Heavy Atoms | 34 |
| Complexity | 1392.3215 |
Chemical Identifiers
| CAS Number | 612802-47-8 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)SC4=C2CCCC4 |
Product Overview
AF-399/41945557 (CAS 612802-47-8), with molecular formula C23H26N4O4S3 and molecular weight 518.11 g/mol. IUPAC: 4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide.
Chemical Property Profile of AF-399/41945557
Property Insights of AF-399/41945557
The XLogP value of 3.6812 indicates that AF-399/41945557 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41945557. Following Lipinski's Rule of Five, AF-399/41945557 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41945557?
The CAS number of AF-399/41945557 is 612802-47-8.
What is the molecular formula of AF-399/41945557?
The molecular formula of AF-399/41945557 is C23H26N4O4S3.
What is the molecular weight of AF-399/41945557?
The molecular weight of AF-399/41945557 is 518.11 g/mol.
Where can I buy AF-399/41945557?
You can request a quote for AF-399/41945557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41945557?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41945557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.