ASN 12972516
TL;DR: ASN 12972516 (CAS 878735-08-1) is a chemical compound with molecular formula C15H13F3N6OS and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
Also Known As: ASN 12972516, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide, F3126-1198, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole-4-carboxamide, N-(5-ethyl(1,3,4-thiadiazol-2-yl)){5-methyl-1-[3-(trifluoromethyl)phenyl](1,2, 3-triazol-4-yl)}carboxamide
| Molecular Formula | C15H13F3N6OS |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 3.26072 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.08237 |
| Heavy Atoms | 26 |
| Complexity | 949.00745 |
Chemical Identifiers
| CAS Number | 878735-08-1 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(F)(F)F)C |
Product Overview
ASN 12972516 (CAS 878735-08-1), with molecular formula C15H13F3N6OS and molecular weight 382.08 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
Chemical Property Profile of ASN 12972516
Property Insights of ASN 12972516
The XLogP value of 3.26072 indicates that ASN 12972516 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12972516. Following Lipinski's Rule of Five, ASN 12972516 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 ASN 12972516?
The CAS number of ASN 12972516 is 878735-08-1.
What is the molecular formula of ASN 12972516?
The molecular formula of ASN 12972516 is C15H13F3N6OS.
What is the molecular weight of ASN 12972516?
The molecular weight of ASN 12972516 is 382.08 g/mol.
Where can I buy ASN 12972516?
You can request a quote for ASN 12972516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12972516?
Yes, KEHONG BIO provides custom synthesis services for ASN 12972516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.