BAS 12971835
TL;DR: BAS 12971835 (CAS 871323-24-9) is a chemical compound with molecular formula C18H15F3N4O2 and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
Also Known As: BAS 12971835, F3126-0546, VU0509771-1, 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide, 1-(2-methoxyphenyl)-5-methyl-N-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C18H15F3N4O2 |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 3.85542 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.11472 |
| Heavy Atoms | 27 |
| Complexity | 982.7332 |
Chemical Identifiers
| CAS Number | 871323-24-9 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=CC=C2OC)C(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
BAS 12971835 (CAS 871323-24-9), with molecular formula C18H15F3N4O2 and molecular weight 376.11 g/mol. IUPAC: 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
Chemical Property Profile of BAS 12971835
Property Insights of BAS 12971835
The XLogP value of 3.85542 indicates that BAS 12971835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12971835. Following Lipinski's Rule of Five, BAS 12971835 has 1 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 BAS 12971835?
The CAS number of BAS 12971835 is 871323-24-9.
What is the molecular formula of BAS 12971835?
The molecular formula of BAS 12971835 is C18H15F3N4O2.
What is the molecular weight of BAS 12971835?
The molecular weight of BAS 12971835 is 376.11 g/mol.
Where can I buy BAS 12971835?
You can request a quote for BAS 12971835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12971835?
Yes, KEHONG BIO provides custom synthesis services for BAS 12971835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.