(2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride
TL;DR: (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride (CAS 1824720-87-7) 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.
(E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoyl chloride
Also Known As: (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride, (2E)-3-(1,5-DIMETHYL-1H-PYRAZOL-4-YL)-ACRYLOYL CHLORIDE, 1,3-Benzenedicarbonyl dichloride,chloro, (E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoyl chloride, (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl chloride
| Molecular Formula | C8H9ClN2O |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 1.50712 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.04034 |
| Heavy Atoms | 12 |
| Complexity | 327.7989 |
Chemical Identifiers
| CAS Number | 1824720-87-7 |
|---|---|
| SMILES | CC1=C(C=NN1C)/C=C/C(=O)Cl |
Product Overview
(2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride (CAS 1824720-87-7), with molecular formula C8H9ClN2O and molecular weight 184.04 g/mol. IUPAC: (E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoyl chloride.
Chemical Property Profile of (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride
Property Insights of (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride
The XLogP value of 1.50712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl 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 (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride?
The CAS number of (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride is 1824720-87-7.
What is the molecular formula of (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride?
The molecular formula of (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride is C8H9ClN2O.
What is the molecular weight of (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride?
The molecular weight of (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride is 184.04 g/mol.
Where can I buy (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride?
You can request a quote for (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.