alpha-Methylcinnamoylchloride
TL;DR: alpha-Methylcinnamoylchloride (CAS 38449-13-7) 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.
2-methyl-3-phenylprop-2-enoyl chloride
Also Known As: methylcinnamoyl chloride, alpha-methylcinnamoylchloride, alpha-methylcinnamoyl chloride, alpha-methyl cinnamic acid chloride, 2-methyl-3-phenylprop-2-enoyl chloride
| Molecular Formula | C10H9ClO |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0342 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 38449-13-7 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)C(=O)Cl |
| InChIKey | XHIRBFXXIZZLNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Methylcinnamoylchloride (CAS 38449-13-7), with molecular formula C10H9ClO and molecular weight 180.03 g/mol. IUPAC: 2-methyl-3-phenylprop-2-enoyl chloride.
Chemical Property Profile of alpha-Methylcinnamoylchloride
Property Insights of alpha-Methylcinnamoylchloride
The XLogP value of 3.2 indicates that alpha-Methylcinnamoylchloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, alpha-Methylcinnamoylchloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methylcinnamoylchloride 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 alpha-Methylcinnamoylchloride?
The CAS number of alpha-Methylcinnamoylchloride is 38449-13-7.
What is the molecular formula of alpha-Methylcinnamoylchloride?
The molecular formula of alpha-Methylcinnamoylchloride is C10H9ClO.
What is the molecular weight of alpha-Methylcinnamoylchloride?
The molecular weight of alpha-Methylcinnamoylchloride is 180.03 g/mol.
Where can I buy alpha-Methylcinnamoylchloride?
You can request a quote for alpha-Methylcinnamoylchloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methylcinnamoylchloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methylcinnamoylchloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.