AF-399/15540350
TL;DR: AF-399/15540350 (CAS 380561-77-3) is a chemical compound with molecular formula C15H12N4S and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-11-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: AF-399/15540350, 3-ethyl-8-phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 5-Ethyl-11-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
| Molecular Formula | C15H12N4S |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.07828 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 380561-77-3 |
|---|---|
| SMILES | CCC1=NN=C2N1C=NC3=C2C=C(S3)C4=CC=CC=C4 |
| InChIKey | ZNGLIDCZDOADHK-UHFFFAOYSA-N |
Product Overview
AF-399/15540350 (CAS 380561-77-3), with molecular formula C15H12N4S and molecular weight 280.08 g/mol. IUPAC: 5-ethyl-11-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of AF-399/15540350
Property Insights of AF-399/15540350
The XLogP value of 4.4 indicates that AF-399/15540350 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15540350. Following Lipinski's Rule of Five, AF-399/15540350 has 0 hydrogen bond donor(s) and 4 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-399/15540350?
The CAS number of AF-399/15540350 is 380561-77-3.
What is the molecular formula of AF-399/15540350?
The molecular formula of AF-399/15540350 is C15H12N4S.
What is the molecular weight of AF-399/15540350?
The molecular weight of AF-399/15540350 is 280.08 g/mol.
Where can I buy AF-399/15540350?
You can request a quote for AF-399/15540350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15540350?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15540350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.