AF-399/15031094
TL;DR: AF-399/15031094 (CAS 314261-67-1) is a chemical compound with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: AF-399/15031094, F0863-0615, N-(furan-2-ylmethyl)-2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-[(furan-2-yl)methyl]-2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamide, N-(furan-2-ylmethyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
| Molecular Formula | C22H19N3O3S2 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 3.9374 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.0868 |
| Heavy Atoms | 30 |
| Complexity | 1260.5177 |
Chemical Identifiers
| CAS Number | 314261-67-1 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCC4=CC=CO4)C5=CC=CC=C5 |
Product Overview
AF-399/15031094 (CAS 314261-67-1), with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of AF-399/15031094
Property Insights of AF-399/15031094
The XLogP value of 3.9374 indicates that AF-399/15031094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15031094. Following Lipinski's Rule of Five, AF-399/15031094 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15031094?
The CAS number of AF-399/15031094 is 314261-67-1.
What is the molecular formula of AF-399/15031094?
The molecular formula of AF-399/15031094 is C22H19N3O3S2.
What is the molecular weight of AF-399/15031094?
The molecular weight of AF-399/15031094 is 437.09 g/mol.
Where can I buy AF-399/15031094?
You can request a quote for AF-399/15031094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15031094?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15031094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.