MixCom6_002101
TL;DR: MixCom6_002101 (CAS 355368-97-7) is a chemical compound with molecular formula C20H17ClN2O3 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[(4Z)-4-[(4-ethylphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: MixCom6_002101, BIM-0040171.P001, (Z)-2-chloro-5-(4-(4-ethylbenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 2-chloro-5-[(4Z)-4-[(4-ethylphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid, 2-chloro-5-[(4Z)-4-(4-ethylbenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
| Molecular Formula | C20H17ClN2O3 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 4.4067 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.09277 |
| Heavy Atoms | 26 |
| Complexity | 946.0287 |
Chemical Identifiers
| CAS Number | 355368-97-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C |
Product Overview
MixCom6_002101 (CAS 355368-97-7), with molecular formula C20H17ClN2O3 and molecular weight 368.09 g/mol. IUPAC: 2-chloro-5-[(4Z)-4-[(4-ethylphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of MixCom6_002101
Property Insights of MixCom6_002101
The XLogP value of 4.4067 indicates that MixCom6_002101 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 MixCom6_002101. Following Lipinski's Rule of Five, MixCom6_002101 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 MixCom6_002101?
The CAS number of MixCom6_002101 is 355368-97-7.
What is the molecular formula of MixCom6_002101?
The molecular formula of MixCom6_002101 is C20H17ClN2O3.
What is the molecular weight of MixCom6_002101?
The molecular weight of MixCom6_002101 is 368.09 g/mol.
Where can I buy MixCom6_002101?
You can request a quote for MixCom6_002101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002101?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.