BAS 12972509
TL;DR: BAS 12972509 (CAS 871323-48-7) is a chemical compound with molecular formula C16H18N6O2S and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide
Also Known As: BAS 12972509, 1-(4-ethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, F3126-1191, 1-(4-ethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide, [1-(4-ethoxyphenyl)-5-methyl(1,2,3-triazol-4-yl)]-N-(5-ethyl(1,3,4-thiadiazol- 2-yl))carboxamide
| Molecular Formula | C16H18N6O2S |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 2.64062 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.1212 |
| Heavy Atoms | 25 |
| Complexity | 871.1397 |
Chemical Identifiers
| CAS Number | 871323-48-7 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)OCC)C |
Product Overview
BAS 12972509 (CAS 871323-48-7), with molecular formula C16H18N6O2S and molecular weight 358.12 g/mol. IUPAC: 1-(4-ethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide.
Chemical Property Profile of BAS 12972509
Property Insights of BAS 12972509
The XLogP value of 2.64062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12972509. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12972509. Following Lipinski's Rule of Five, BAS 12972509 has 1 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 BAS 12972509?
The CAS number of BAS 12972509 is 871323-48-7.
What is the molecular formula of BAS 12972509?
The molecular formula of BAS 12972509 is C16H18N6O2S.
What is the molecular weight of BAS 12972509?
The molecular weight of BAS 12972509 is 358.12 g/mol.
Where can I buy BAS 12972509?
You can request a quote for BAS 12972509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12972509?
Yes, KEHONG BIO provides custom synthesis services for BAS 12972509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.