benzyl 1H-indazole-3-carboxylate
TL;DR: benzyl 1H-indazole-3-carboxylate (CAS 194490-32-9) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 1H-indazole-3-carboxylate
Also Known As: benzyl 1H-indazole-3-carboxylate, benzyl indazole-3-carboxylate, 1H-Indazole-3-carboxylic acid benzyl ester, 1h-indazole-3-carboxylic acid,phenylmethyl ester, 1H-Indazole-3-carboxylic Acid Phenylmethyl Ester
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.9199 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 704.25214 |
Chemical Identifiers
| CAS Number | 194490-32-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=NNC3=CC=CC=C32 |
Product Overview
benzyl 1H-indazole-3-carboxylate (CAS 194490-32-9), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: benzyl 1H-indazole-3-carboxylate.
Chemical Property Profile of benzyl 1H-indazole-3-carboxylate
Property Insights of benzyl 1H-indazole-3-carboxylate
The XLogP value of 2.9199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 1H-indazole-3-carboxylate. With a topological polar surface area (TPSA) of 54.98 Ų, benzyl 1H-indazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 1H-indazole-3-carboxylate has 1 hydrogen bond donor(s) and 3 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 benzyl 1H-indazole-3-carboxylate?
The CAS number of benzyl 1H-indazole-3-carboxylate is 194490-32-9.
What is the molecular formula of benzyl 1H-indazole-3-carboxylate?
The molecular formula of benzyl 1H-indazole-3-carboxylate is C15H12N2O2.
What is the molecular weight of benzyl 1H-indazole-3-carboxylate?
The molecular weight of benzyl 1H-indazole-3-carboxylate is 252.09 g/mol.
Where can I buy benzyl 1H-indazole-3-carboxylate?
You can request a quote for benzyl 1H-indazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 1H-indazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 1H-indazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.