3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile
TL;DR: 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile (CAS 56630-97-8) is a chemical compound with molecular formula C14H8ClN3 and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)indazole-3-carbonitrile
Also Known As: 3-3h-indazole-3-carbonitrile, 3- -3H-indazole-3-carbonitrile, 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile, 3H-Indazole-3-carbonitrile, 3-(4-chlorophenyl)-
| Molecular Formula | C14H8ClN3 |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.04068 |
| Heavy Atoms | 18 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 56630-97-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(N=N2)(C#N)C3=CC=C(C=C3)Cl |
| InChIKey | YDSVQTQEVDGXEO-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile (CAS 56630-97-8), with molecular formula C14H8ClN3 and molecular weight 253.04 g/mol. IUPAC: 3-(4-chlorophenyl)indazole-3-carbonitrile.
Chemical Property Profile of 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile
Property Insights of 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile
The XLogP value of 3.8 indicates that 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile has 0 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 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile?
The CAS number of 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile is 56630-97-8.
What is the molecular formula of 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile?
The molecular formula of 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile is C14H8ClN3.
What is the molecular weight of 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile?
The molecular weight of 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile is 253.04 g/mol.
Where can I buy 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile?
You can request a quote for 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-3H-indazole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.