3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride
TL;DR: 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride (CAS 512809-95-9) is a chemical compound with molecular formula C7H7ClN2O and molecular weight 170.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylpyrazol-4-yl)prop-2-enoyl chloride
Also Known As: 3-(1-methylpyrazol-4-yl)prop-2-enoyl chloride, (2E)-3-(1-methyl-1H-pyrazol-4-yl)acryloyl chloride, 3-(1-Methyl-1H-pyrazol-4-yl)-acryloyl chloride, (2E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl chloride, 3-(1-Methyl-1H-pyrazol-4-yl)-2-propenoyl chloride
| Molecular Formula | C7H7ClN2O |
|---|---|
| Molecular Weight | 170.02 g/mol |
| LogP | 1.1987 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.02469 |
| Heavy Atoms | 11 |
| Complexity | 290.38562 |
Chemical Identifiers
| CAS Number | 512809-95-9 |
|---|---|
| SMILES | CN1C=C(C=N1)C=CC(=O)Cl |
Product Overview
3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride (CAS 512809-95-9), with molecular formula C7H7ClN2O and molecular weight 170.02 g/mol. IUPAC: 3-(1-methylpyrazol-4-yl)prop-2-enoyl chloride.
Chemical Property Profile of 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride
Property Insights of 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride
The XLogP value of 1.1987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride has 0 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-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride?
The CAS number of 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride is 512809-95-9.
What is the molecular formula of 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride?
The molecular formula of 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride is C7H7ClN2O.
What is the molecular weight of 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride?
The molecular weight of 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride is 170.02 g/mol.
Where can I buy 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride?
You can request a quote for 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methylpyrazol-4-yl)prop-2-enoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.