AF-399/40805031
TL;DR: AF-399/40805031 (CAS 385374-10-7) is a chemical compound with molecular formula C18H14N4O4S and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-5-(3-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Also Known As: AF-399/40805031, 2-(4-methoxyphenyl)-5-(3-nitrophenyl)-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one, 2-(4-methoxyphenyl)-5-(3-nitrophenyl)-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7(6H)-one, F1012-0093, 2-(4-methoxyphenyl)-5-(3-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
| Molecular Formula | C18H14N4O4S |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 3.7392 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.07358 |
| Heavy Atoms | 27 |
| Complexity | 1032.0958 |
Chemical Identifiers
| CAS Number | 385374-10-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN3C(=O)CC(SC3=N2)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
AF-399/40805031 (CAS 385374-10-7), with molecular formula C18H14N4O4S and molecular weight 382.07 g/mol. IUPAC: 2-(4-methoxyphenyl)-5-(3-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
Chemical Property Profile of AF-399/40805031
Property Insights of AF-399/40805031
The XLogP value of 3.7392 indicates that AF-399/40805031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40805031. Following Lipinski's Rule of Five, AF-399/40805031 has 0 hydrogen bond donor(s) and 7 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-399/40805031?
The CAS number of AF-399/40805031 is 385374-10-7.
What is the molecular formula of AF-399/40805031?
The molecular formula of AF-399/40805031 is C18H14N4O4S.
What is the molecular weight of AF-399/40805031?
The molecular weight of AF-399/40805031 is 382.07 g/mol.
Where can I buy AF-399/40805031?
You can request a quote for AF-399/40805031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40805031?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40805031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.