ChemDiv1_007547
TL;DR: ChemDiv1_007547 (CAS 78051-37-3) is a chemical compound with molecular formula C18H15ClN2O4 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzoyl-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate
Also Known As: ChemDiv1_007547, WHGMVXVYWKNPPH-UHFFFAOYSA-, BAS 00630832, BIM-0027379.P001, methyl 1-benzoyl-5-(4-chlorophenyl)-5-hydroxy-4,5-dihydro-1H-pyrazole-3-carboxylate
| Molecular Formula | C18H15ClN2O4 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.5602 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.07202 |
| Heavy Atoms | 25 |
| Complexity | 835.91437 |
Chemical Identifiers
| CAS Number | 78051-37-3 |
|---|---|
| SMILES | COC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3 |
Product Overview
ChemDiv1_007547 (CAS 78051-37-3), with molecular formula C18H15ClN2O4 and molecular weight 358.07 g/mol. IUPAC: methyl 1-benzoyl-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate.
Chemical Property Profile of ChemDiv1_007547
Property Insights of ChemDiv1_007547
The XLogP value of 2.5602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007547. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007547. Following Lipinski's Rule of Five, ChemDiv1_007547 has 1 hydrogen bond donor(s) and 5 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 ChemDiv1_007547?
The CAS number of ChemDiv1_007547 is 78051-37-3.
What is the molecular formula of ChemDiv1_007547?
The molecular formula of ChemDiv1_007547 is C18H15ClN2O4.
What is the molecular weight of ChemDiv1_007547?
The molecular weight of ChemDiv1_007547 is 358.07 g/mol.
Where can I buy ChemDiv1_007547?
You can request a quote for ChemDiv1_007547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007547?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.