AF-399/40851318
TL;DR: AF-399/40851318 (CAS 496022-16-3) is a chemical compound with molecular formula C23H20N4O3S4 and molecular weight 528.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Also Known As: AF-399/40851318, 2-[[2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide, 2-[({[3-allyl-4-oxo-5-(2-thienyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide, 2-[2-(4-oxo-3-prop-2-enyl-5-(2-thienyl)-3-hydrothiopheno[2,3-d]pyrimidin-2-ylt hio)acetylamino]-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxamide
| Molecular Formula | C23H20N4O3S4 |
|---|---|
| Molecular Weight | 528.04 g/mol |
| LogP | 4.7524 |
| Topological Polar Surface Area | 107.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.0418 |
| Heavy Atoms | 34 |
| Complexity | 1480.1705 |
Chemical Identifiers
| CAS Number | 496022-16-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N)SC=C2C5=CC=CS5 |
Product Overview
AF-399/40851318 (CAS 496022-16-3), with molecular formula C23H20N4O3S4 and molecular weight 528.04 g/mol. IUPAC: 2-[[2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
Chemical Property Profile of AF-399/40851318
Property Insights of AF-399/40851318
The XLogP value of 4.7524 indicates that AF-399/40851318 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851318. Following Lipinski's Rule of Five, AF-399/40851318 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40851318?
The CAS number of AF-399/40851318 is 496022-16-3.
What is the molecular formula of AF-399/40851318?
The molecular formula of AF-399/40851318 is C23H20N4O3S4.
What is the molecular weight of AF-399/40851318?
The molecular weight of AF-399/40851318 is 528.04 g/mol.
Where can I buy AF-399/40851318?
You can request a quote for AF-399/40851318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851318?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.