![(2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid structure](/static/products/1006/1006492-52-9.webp)
(2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid
TL;DR: (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid (CAS 1006492-52-9) is a chemical compound with molecular formula C15H15ClN2O3 and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid
Also Known As: (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid, 3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid, (2E)-3-[5-chloro-1-(3-methoxybenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid, (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid, 3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoic Acid
| Molecular Formula | C15H15ClN2O3 |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 2.99962 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.07712 |
| Heavy Atoms | 21 |
| Complexity | 692.22235 |
Chemical Identifiers
| CAS Number | 1006492-52-9 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=C/C(=O)O)Cl)CC2=CC(=CC=C2)OC |
Product Overview
(2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid (CAS 1006492-52-9), with molecular formula C15H15ClN2O3 and molecular weight 306.08 g/mol. IUPAC: (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid
Property Insights of (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid
The XLogP value of 2.99962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid 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 (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid?
The CAS number of (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid is 1006492-52-9.
What is the molecular formula of (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid?
The molecular formula of (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid is C15H15ClN2O3.
What is the molecular weight of (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid?
The molecular weight of (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid is 306.08 g/mol.
Where can I buy (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid?
You can request a quote for (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-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 (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-{5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.