3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride
TL;DR: 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride (CAS 512809-98-2) is a chemical compound with molecular formula C8H9ClN2O and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-ethylpyrazol-4-yl)prop-2-enoyl chloride
Also Known As: 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride, (2E)-3-(1-ethyl-1H-pyrazol-4-yl)acryloyl chloride, 3-(1-Ethyl-1H-pyrazol-4-yl)acryloyl chloride
| Molecular Formula | C8H9ClN2O |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 1.6816 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.04034 |
| Heavy Atoms | 12 |
| Complexity | 303.76144 |
Chemical Identifiers
| CAS Number | 512809-98-2 |
|---|---|
| SMILES | CCN1C=C(C=N1)C=CC(=O)Cl |
Product Overview
3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride (CAS 512809-98-2), with molecular formula C8H9ClN2O and molecular weight 184.04 g/mol. IUPAC: 3-(1-ethylpyrazol-4-yl)prop-2-enoyl chloride.
Chemical Property Profile of 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride
Property Insights of 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride
The XLogP value of 1.6816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-ethylpyrazol-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-ethylpyrazol-4-yl)prop-2-enoyl Chloride?
The CAS number of 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride is 512809-98-2.
What is the molecular formula of 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride?
The molecular formula of 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride is C8H9ClN2O.
What is the molecular weight of 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride?
The molecular weight of 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride is 184.04 g/mol.
Where can I buy 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride?
You can request a quote for 3-(1-ethylpyrazol-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-ethylpyrazol-4-yl)prop-2-enoyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-ethylpyrazol-4-yl)prop-2-enoyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.