3-(m-Tolyl)prop-2-enoyl chloride
TL;DR: 3-(m-Tolyl)prop-2-enoyl chloride (CAS 53659-03-3) is a chemical compound with molecular formula C10H9ClO and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)prop-2-enoyl chloride
Also Known As: 3-methylcinnamic acid chloride, (E)-3-m-Tolyl-acryloyl chloride, 3-(m-tolyl)prop-2-enoyl chloride, (E)-3-(m-tolyl)prop-2-enoyl chloride, 3-(3-methylphenyl)prop-2-enoyl chloride
| Molecular Formula | C10H9ClO |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 2.77362 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0342 |
| Heavy Atoms | 12 |
| Complexity | 315.36954 |
Chemical Identifiers
| CAS Number | 53659-03-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C=CC(=O)Cl |
Product Overview
3-(m-Tolyl)prop-2-enoyl chloride (CAS 53659-03-3), with molecular formula C10H9ClO and molecular weight 180.03 g/mol. IUPAC: 3-(3-methylphenyl)prop-2-enoyl chloride.
Chemical Property Profile of 3-(m-Tolyl)prop-2-enoyl chloride
Property Insights of 3-(m-Tolyl)prop-2-enoyl chloride
The XLogP value of 2.77362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(m-Tolyl)prop-2-enoyl chloride. With a topological polar surface area (TPSA) of 17.07 Ų, 3-(m-Tolyl)prop-2-enoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(m-Tolyl)prop-2-enoyl chloride has 0 hydrogen bond donor(s) and 1 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-(m-Tolyl)prop-2-enoyl chloride?
The CAS number of 3-(m-Tolyl)prop-2-enoyl chloride is 53659-03-3.
What is the molecular formula of 3-(m-Tolyl)prop-2-enoyl chloride?
The molecular formula of 3-(m-Tolyl)prop-2-enoyl chloride is C10H9ClO.
What is the molecular weight of 3-(m-Tolyl)prop-2-enoyl chloride?
The molecular weight of 3-(m-Tolyl)prop-2-enoyl chloride is 180.03 g/mol.
Where can I buy 3-(m-Tolyl)prop-2-enoyl chloride?
You can request a quote for 3-(m-Tolyl)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-(m-Tolyl)prop-2-enoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(m-Tolyl)prop-2-enoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.