A2025/0084991
TL;DR: A2025/0084991 (CAS 312706-46-0) is a chemical compound with molecular formula C18H12Cl2N2O3 and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[(4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: A2025/0084991, 2-chloro-5-[(4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid, (Z)-2-chloro-5-(4-(4-chlorobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 2-chloro-5-[(4Z)-4-(4-chlorobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid, 2-CHLORO-5-[(4Z)-4-[(4-CHLOROPHENYL)METHYLIDENE]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZOIC ACID
| Molecular Formula | C18H12Cl2N2O3 |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 4.4977 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.0225 |
| Heavy Atoms | 25 |
| Complexity | 933.8374 |
Chemical Identifiers
| CAS Number | 312706-46-0 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)Cl)C(=O)O |
Product Overview
A2025/0084991 (CAS 312706-46-0), with molecular formula C18H12Cl2N2O3 and molecular weight 374.02 g/mol. IUPAC: 2-chloro-5-[(4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of A2025/0084991
Property Insights of A2025/0084991
The XLogP value of 4.4977 indicates that A2025/0084991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for A2025/0084991. Following Lipinski's Rule of Five, A2025/0084991 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 A2025/0084991?
The CAS number of A2025/0084991 is 312706-46-0.
What is the molecular formula of A2025/0084991?
The molecular formula of A2025/0084991 is C18H12Cl2N2O3.
What is the molecular weight of A2025/0084991?
The molecular weight of A2025/0084991 is 374.02 g/mol.
Where can I buy A2025/0084991?
You can request a quote for A2025/0084991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2025/0084991?
Yes, KEHONG BIO provides custom synthesis services for A2025/0084991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.