BAS 12972532
TL;DR: BAS 12972532 (CAS 878735-22-9) is a chemical compound with molecular formula C14H12ClN5O2 and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
Also Known As: BAS 12972532, 1-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,3-triazole-4-carboxamide, F3126-1214, 1-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide, 1-(2-chlorophenyl)-5-methyl-N-(5-methylisoxazol-3-yl)-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C14H12ClN5O2 |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 2.77784 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.06796 |
| Heavy Atoms | 22 |
| Complexity | 839.38324 |
Chemical Identifiers
| CAS Number | 878735-22-9 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3Cl)C |
Product Overview
BAS 12972532 (CAS 878735-22-9), with molecular formula C14H12ClN5O2 and molecular weight 317.07 g/mol. IUPAC: 1-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide.
Chemical Property Profile of BAS 12972532
Property Insights of BAS 12972532
The XLogP value of 2.77784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12972532. The TPSA of 85.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12972532. Following Lipinski's Rule of Five, BAS 12972532 has 1 hydrogen bond donor(s) and 5 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 12972532?
The CAS number of BAS 12972532 is 878735-22-9.
What is the molecular formula of BAS 12972532?
The molecular formula of BAS 12972532 is C14H12ClN5O2.
What is the molecular weight of BAS 12972532?
The molecular weight of BAS 12972532 is 317.07 g/mol.
Where can I buy BAS 12972532?
You can request a quote for BAS 12972532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12972532?
Yes, KEHONG BIO provides custom synthesis services for BAS 12972532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.