1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride
TL;DR: 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride (CAS 40939-84-2) is a chemical compound with molecular formula C14H12ClN3O and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-aminoindazol-1-yl)-phenylmethanone;hydrochloride
Also Known As: Benzoyl-1 amino-6 indazole chlorhydrate, 1-Benzoyl-1H-indazole-6-amine monohydrochloride, 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride, Benzoyl-1 amino-6 indazole chlorhydrate [French], 1-benzoyl-1H-indazol-6-amine hydrochloride
| Molecular Formula | C14H12ClN3O |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 2.7288 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.0669 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 40939-84-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C3=C(C=CC(=C3)N)C=N2.Cl |
| InChIKey | OTXFWKDCJSVUBJ-UHFFFAOYSA-N |
Product Overview
1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride (CAS 40939-84-2), with molecular formula C14H12ClN3O and molecular weight 273.07 g/mol. IUPAC: (6-aminoindazol-1-yl)-phenylmethanone;hydrochloride.
Chemical Property Profile of 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride
Property Insights of 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride
The XLogP value of 2.7288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride. Following Lipinski's Rule of Five, 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride has 2 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 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride?
The CAS number of 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride is 40939-84-2.
What is the molecular formula of 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride?
The molecular formula of 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride is C14H12ClN3O.
What is the molecular weight of 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride?
The molecular weight of 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride is 273.07 g/mol.
Where can I buy 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride?
You can request a quote for 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.