AF-399/40850891
TL;DR: AF-399/40850891 (CAS 496027-87-3) is a chemical compound with molecular formula C29H24N4O3S3 and molecular weight 572.10 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-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: AF-399/40850891, F1174-3191, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-{[5-(5-methylfuran-2-yl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-{[5-(5-methyl-2-furyl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C29H24N4O3S3 |
|---|---|
| Molecular Weight | 572.10 g/mol |
| LogP | 6.9485 |
| Topological Polar Surface Area | 100.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 572.1011 |
| Heavy Atoms | 39 |
| Complexity | 1790.1001 |
Chemical Identifiers
| CAS Number | 496027-87-3 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=C(C5=C(S4)CCCCC5)C#N)C6=CC=CC=C6 |
Product Overview
AF-399/40850891 (CAS 496027-87-3), with molecular formula C29H24N4O3S3 and molecular weight 572.10 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of AF-399/40850891
Property Insights of AF-399/40850891
The XLogP value of 6.9485 indicates that AF-399/40850891 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-399/40850891. Following Lipinski's Rule of Five, AF-399/40850891 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-399/40850891?
The CAS number of AF-399/40850891 is 496027-87-3.
What is the molecular formula of AF-399/40850891?
The molecular formula of AF-399/40850891 is C29H24N4O3S3.
What is the molecular weight of AF-399/40850891?
The molecular weight of AF-399/40850891 is 572.10 g/mol.
Where can I buy AF-399/40850891?
You can request a quote for AF-399/40850891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40850891?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40850891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.