Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester
TL;DR: Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester (CAS 6909-55-3) is a chemical compound with molecular formula C17H15ClN2O2 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzoate
Also Known As: 2-Dimethylaminoethyl phosphate, Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester, 1-(4-Methoxycarbonylphenyl)-3-(4-chlorophenyl)-2-pyrazoline, 2-Pyrazoline, 1-(4-methoxycarbonylphenyl)-3-(4-chlorophenyl)-, Methyl 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoate
| Molecular Formula | C17H15ClN2O2 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0822 |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 6909-55-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl |
| InChIKey | BZHFCYQAVWSERR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester (CAS 6909-55-3), with molecular formula C17H15ClN2O2 and molecular weight 314.08 g/mol. IUPAC: methyl 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzoate.
Chemical Property Profile of Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester
Property Insights of Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester
The XLogP value of 4.0 indicates that Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester has 0 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 Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester?
The CAS number of Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester is 6909-55-3.
What is the molecular formula of Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester?
The molecular formula of Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester is C17H15ClN2O2.
What is the molecular weight of Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester?
The molecular weight of Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester is 314.08 g/mol.
Where can I buy Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester?
You can request a quote for Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.