AF-399/15031046
TL;DR: AF-399/15031046 (CAS 314260-93-0) is a chemical compound with molecular formula C22H23N3O2S2 and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-2-[(12-oxo-11-prop-2-enyl-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-399/15031046, N-(2,6-dimethylphenyl)-2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamide, F0863-0353, 2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2,6-dimethylphenyl)acetamide, N-(2,6-Dimethylphenyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
| Molecular Formula | C22H23N3O2S2 |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 4.48034 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.12317 |
| Heavy Atoms | 29 |
| Complexity | 1156.7446 |
Chemical Identifiers
| CAS Number | 314260-93-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
AF-399/15031046 (CAS 314260-93-0), with molecular formula C22H23N3O2S2 and molecular weight 425.12 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2-[(12-oxo-11-prop-2-enyl-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-399/15031046
Property Insights of AF-399/15031046
The XLogP value of 4.48034 indicates that AF-399/15031046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15031046. Following Lipinski's Rule of Five, AF-399/15031046 has 1 hydrogen bond donor(s) and 5 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-399/15031046?
The CAS number of AF-399/15031046 is 314260-93-0.
What is the molecular formula of AF-399/15031046?
The molecular formula of AF-399/15031046 is C22H23N3O2S2.
What is the molecular weight of AF-399/15031046?
The molecular weight of AF-399/15031046 is 425.12 g/mol.
Where can I buy AF-399/15031046?
You can request a quote for AF-399/15031046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15031046?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15031046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.