cyanomethyl 1H-indazole-3-carboxylate
TL;DR: cyanomethyl 1H-indazole-3-carboxylate (CAS 876154-79-9) is a chemical compound with molecular formula C10H7N3O2 and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 1H-indazole-3-carboxylate
Also Known As: cyanomethyl 1H-indazole-3-carboxylate, 1h-indazole-3-carboxylic acid, cyanomethyl ester
| Molecular Formula | C10H7N3O2 |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 1.24328 |
| Topological Polar Surface Area | 78.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.05383 |
| Heavy Atoms | 15 |
| Complexity | 538.83624 |
Chemical Identifiers
| CAS Number | 876154-79-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN2)C(=O)OCC#N |
Product Overview
cyanomethyl 1H-indazole-3-carboxylate (CAS 876154-79-9), with molecular formula C10H7N3O2 and molecular weight 201.05 g/mol. IUPAC: cyanomethyl 1H-indazole-3-carboxylate.
Chemical Property Profile of cyanomethyl 1H-indazole-3-carboxylate
Property Insights of cyanomethyl 1H-indazole-3-carboxylate
The XLogP value of 1.24328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyanomethyl 1H-indazole-3-carboxylate. The TPSA of 78.77 Ų falls within the moderate polarity range, balancing permeability and solubility for cyanomethyl 1H-indazole-3-carboxylate. Following Lipinski's Rule of Five, cyanomethyl 1H-indazole-3-carboxylate 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 cyanomethyl 1H-indazole-3-carboxylate?
The CAS number of cyanomethyl 1H-indazole-3-carboxylate is 876154-79-9.
What is the molecular formula of cyanomethyl 1H-indazole-3-carboxylate?
The molecular formula of cyanomethyl 1H-indazole-3-carboxylate is C10H7N3O2.
What is the molecular weight of cyanomethyl 1H-indazole-3-carboxylate?
The molecular weight of cyanomethyl 1H-indazole-3-carboxylate is 201.05 g/mol.
Where can I buy cyanomethyl 1H-indazole-3-carboxylate?
You can request a quote for cyanomethyl 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 cyanomethyl 1H-indazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for cyanomethyl 1H-indazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.