AF-399/40850889
TL;DR: AF-399/40850889 (CAS 379239-47-1) is a chemical compound with molecular formula C25H22N4O3S3 and molecular weight 522.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: AF-399/40850889, F1174-3100, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide, 2-((3-allyl-5-(furan-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-{[5-(furan-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C25H22N4O3S3 |
|---|---|
| Molecular Weight | 522.09 g/mol |
| LogP | 5.83688 |
| Topological Polar Surface Area | 100.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.0854 |
| Heavy Atoms | 35 |
| Complexity | 1505.4668 |
Chemical Identifiers
| CAS Number | 379239-47-1 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C4=C(S3)CCCCC4)C#N)SC=C2C5=CC=CO5 |
Product Overview
AF-399/40850889 (CAS 379239-47-1), with molecular formula C25H22N4O3S3 and molecular weight 522.09 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of AF-399/40850889
Property Insights of AF-399/40850889
The XLogP value of 5.83688 indicates that AF-399/40850889 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40850889. Following Lipinski's Rule of Five, AF-399/40850889 has 1 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-399/40850889?
The CAS number of AF-399/40850889 is 379239-47-1.
What is the molecular formula of AF-399/40850889?
The molecular formula of AF-399/40850889 is C25H22N4O3S3.
What is the molecular weight of AF-399/40850889?
The molecular weight of AF-399/40850889 is 522.09 g/mol.
Where can I buy AF-399/40850889?
You can request a quote for AF-399/40850889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40850889?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40850889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.