Methyl atropate
TL;DR: Methyl atropate (CAS 214916-39-9) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenylprop-2-enoate
Also Known As: Methyl 2-phenylacrylate, Methyl atropate, methyl 2-phenylprop-2-enoate, Methyl atropate #, methyl phenylacrylate
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 214916-39-9 |
|---|---|
| SMILES | COC(=O)C(=C)C1=CC=CC=C1 |
| InChIKey | GQTXKEVAUZYHGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl atropate (CAS 214916-39-9), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: methyl 2-phenylprop-2-enoate.
Chemical Property Profile of Methyl atropate
Property Insights of Methyl atropate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl atropate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl atropate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl atropate 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 Methyl atropate?
The CAS number of Methyl atropate is 214916-39-9.
What is the molecular formula of Methyl atropate?
The molecular formula of Methyl atropate is C10H10O2.
What is the molecular weight of Methyl atropate?
The molecular weight of Methyl atropate is 162.07 g/mol.
Where can I buy Methyl atropate?
You can request a quote for Methyl atropate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl atropate?
Yes, KEHONG BIO provides custom synthesis services for Methyl atropate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.