ASN 12972521
TL;DR: ASN 12972521 (CAS 878735-12-7) is a chemical compound with molecular formula C14H13FN6OS and molecular weight 332.09 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)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide
Also Known As: ASN 12972521, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, F3126-1203, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide, N-(5-ethyl(1,3,4-thiadiazol-2-yl))[1-(2-fluorophenyl)-5-methyl(1,2,3-triazol-4 -yl)]carboxamide
| Molecular Formula | C14H13FN6OS |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 2.38102 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.08557 |
| Heavy Atoms | 23 |
| Complexity | 858.582 |
Chemical Identifiers
| CAS Number | 878735-12-7 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3F)C |
Product Overview
ASN 12972521 (CAS 878735-12-7), with molecular formula C14H13FN6OS and molecular weight 332.09 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide.
Chemical Property Profile of ASN 12972521
Property Insights of ASN 12972521
The XLogP value of 2.38102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 12972521. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12972521. Following Lipinski's Rule of Five, ASN 12972521 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 12972521?
The CAS number of ASN 12972521 is 878735-12-7.
What is the molecular formula of ASN 12972521?
The molecular formula of ASN 12972521 is C14H13FN6OS.
What is the molecular weight of ASN 12972521?
The molecular weight of ASN 12972521 is 332.09 g/mol.
Where can I buy ASN 12972521?
You can request a quote for ASN 12972521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12972521?
Yes, KEHONG BIO provides custom synthesis services for ASN 12972521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.