AF-399/14944004
TL;DR: AF-399/14944004 (CAS 315679-30-2) is a chemical compound with molecular formula C25H20N4O2S3 and molecular weight 504.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: AF-399/14944004, 2-[(3-allyl-4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)acetamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
| Molecular Formula | C25H20N4O2S3 |
|---|---|
| Molecular Weight | 504.07 g/mol |
| LogP | 5.46368 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.07483 |
| Heavy Atoms | 34 |
| Complexity | 1509.1721 |
Chemical Identifiers
| CAS Number | 315679-30-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C4=C(S3)CCC4)C#N)SC=C2C5=CC=CC=C5 |
Product Overview
AF-399/14944004 (CAS 315679-30-2), with molecular formula C25H20N4O2S3 and molecular weight 504.07 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of AF-399/14944004
Property Insights of AF-399/14944004
The XLogP value of 5.46368 indicates that AF-399/14944004 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-399/14944004. Following Lipinski's Rule of Five, AF-399/14944004 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-399/14944004?
The CAS number of AF-399/14944004 is 315679-30-2.
What is the molecular formula of AF-399/14944004?
The molecular formula of AF-399/14944004 is C25H20N4O2S3.
What is the molecular weight of AF-399/14944004?
The molecular weight of AF-399/14944004 is 504.07 g/mol.
Where can I buy AF-399/14944004?
You can request a quote for AF-399/14944004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/14944004?
Yes, KEHONG BIO provides custom synthesis services for AF-399/14944004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.