Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)-
TL;DR: Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)- (CAS 155303-91-6) is a chemical compound with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloropyrazol-1-yl)methyl]benzoic acid
Also Known As: 3-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzoic acid, 3-[(4-chloropyrazol-1-yl)methyl]benzoic acid, 3-((4-chloro-1h-pyrazol-1-yl)methyl)benzoic acid, 3-(4-Chloro-pyrazol-1-ylmethyl)-benzoic acid, 3-(4-chloropyrazol-1-ylmethyl)benzoic acid
| Molecular Formula | C11H9ClN2O2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.03525 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 155303-91-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CN2C=C(C=N2)Cl |
| InChIKey | AOAWWPBKFRBPEP-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)- (CAS 155303-91-6), with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol. IUPAC: 3-[(4-chloropyrazol-1-yl)methyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)-
Property Insights of Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)-. With a topological polar surface area (TPSA) of 55.1 Ų, Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)- 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 Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)-?
The CAS number of Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)- is 155303-91-6.
What is the molecular formula of Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)-?
The molecular formula of Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)- is C11H9ClN2O2.
What is the molecular weight of Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)-?
The molecular weight of Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)- is 236.04 g/mol.
Where can I buy Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)-?
You can request a quote for Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-((4-chloro-1H-pyrazol-1-yl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.