AF-399/41378183
TL;DR: AF-399/41378183 (CAS 494826-13-0) is a chemical compound with molecular formula C24H22N4O2S3 and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzyl-3-cyano-4-methylthiophen-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: AF-399/41378183, N-(5-benzyl-3-cyano-4-methylthiophen-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide, N-(5-benzyl-3-cyano-4-methylthiophen-2-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(5-benzyl-3-cyano-4-methylthien-2-yl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(5-benzyl-3-cyano-4-methylthiophen-2-yl)-2-((3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C24H22N4O2S3 |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 5.17504 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.09048 |
| Heavy Atoms | 33 |
| Complexity | 1459.3601 |
Chemical Identifiers
| CAS Number | 494826-13-0 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C(=C(S3)CC4=CC=CC=C4)C)C#N)C)C |
Product Overview
AF-399/41378183 (CAS 494826-13-0), with molecular formula C24H22N4O2S3 and molecular weight 494.09 g/mol. IUPAC: N-(5-benzyl-3-cyano-4-methylthiophen-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of AF-399/41378183
Property Insights of AF-399/41378183
The XLogP value of 5.17504 indicates that AF-399/41378183 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41378183. Following Lipinski's Rule of Five, AF-399/41378183 has 1 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-399/41378183?
The CAS number of AF-399/41378183 is 494826-13-0.
What is the molecular formula of AF-399/41378183?
The molecular formula of AF-399/41378183 is C24H22N4O2S3.
What is the molecular weight of AF-399/41378183?
The molecular weight of AF-399/41378183 is 494.09 g/mol.
Where can I buy AF-399/41378183?
You can request a quote for AF-399/41378183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41378183?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41378183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.