3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid
TL;DR: 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid (CAS 1196677-96-9) is a chemical compound with molecular formula C8H9ClN2O2 and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid
Also Known As: 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid, 3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOL-4-YL)ACRYLIC ACID, 3(-5-Chloro-1,3-dimethylpyrazol-4-yl)acrylic acid, 3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid, (E)-3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)-2-propenoic acid
| Molecular Formula | C8H9ClN2O2 |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 1.47972 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.03525 |
| Heavy Atoms | 13 |
| Complexity | 368.4661 |
Chemical Identifiers
| CAS Number | 1196677-96-9 |
|---|---|
| SMILES | CC1=NN(C(=C1C=CC(=O)O)Cl)C |
Product Overview
3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid (CAS 1196677-96-9), with molecular formula C8H9ClN2O2 and molecular weight 200.04 g/mol. IUPAC: 3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid
Property Insights of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid
The XLogP value of 1.47972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 2 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 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The CAS number of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid is 1196677-96-9.
What is the molecular formula of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The molecular formula of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid is C8H9ClN2O2.
What is the molecular weight of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The molecular weight of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid is 200.04 g/mol.
Where can I buy 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid?
You can request a quote for 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.