AF-399/40806112
TL;DR: AF-399/40806112 (CAS 182199-03-7) is a chemical compound with molecular formula C19H12N4S and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,12-diphenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: AF-399/40806112, 3,9-diphenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 1,7-diphenyl-6-hydrothiopheno[2,3-d]1,2,4-triazolo[4,3-e]pyrimidine, 5,12-diphenyl-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene
| Molecular Formula | C19H12N4S |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 4.673 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.07828 |
| Heavy Atoms | 24 |
| Complexity | 1143.636 |
Chemical Identifiers
| CAS Number | 182199-03-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=C2C4=NN=C(N4C=N3)C5=CC=CC=C5 |
Product Overview
AF-399/40806112 (CAS 182199-03-7), with molecular formula C19H12N4S and molecular weight 328.08 g/mol. IUPAC: 5,12-diphenyl-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-399/40806112
Property Insights of AF-399/40806112
The XLogP value of 4.673 indicates that AF-399/40806112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, AF-399/40806112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40806112 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-399/40806112?
The CAS number of AF-399/40806112 is 182199-03-7.
What is the molecular formula of AF-399/40806112?
The molecular formula of AF-399/40806112 is C19H12N4S.
What is the molecular weight of AF-399/40806112?
The molecular weight of AF-399/40806112 is 328.08 g/mol.
Where can I buy AF-399/40806112?
You can request a quote for AF-399/40806112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40806112?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40806112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.