3-Phenylamino acrylic acid methylester
TL;DR: 3-Phenylamino acrylic acid methylester (CAS 7377-75-5) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-anilinoprop-2-enoate
Also Known As: methyl 3-anilinoprop-2-enoate, (E)-methyl 3-(phenylamino)acrylate, methyl 3-phenylamino-2-propenoate, 3-phenylamino acrylic acid methylester
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 7377-75-5 |
|---|---|
| SMILES | COC(=O)C=CNC1=CC=CC=C1 |
| InChIKey | DLMNOVFTAIOSQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylamino acrylic acid methylester (CAS 7377-75-5), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: methyl 3-anilinoprop-2-enoate.
Chemical Property Profile of 3-Phenylamino acrylic acid methylester
Property Insights of 3-Phenylamino acrylic acid methylester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylamino acrylic acid methylester. With a topological polar surface area (TPSA) of 38.3 Ų, 3-Phenylamino acrylic acid methylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylamino acrylic acid methylester has 1 hydrogen bond donor(s) and 3 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-Phenylamino acrylic acid methylester?
The CAS number of 3-Phenylamino acrylic acid methylester is 7377-75-5.
What is the molecular formula of 3-Phenylamino acrylic acid methylester?
The molecular formula of 3-Phenylamino acrylic acid methylester is C10H11NO2.
What is the molecular weight of 3-Phenylamino acrylic acid methylester?
The molecular weight of 3-Phenylamino acrylic acid methylester is 177.08 g/mol.
Where can I buy 3-Phenylamino acrylic acid methylester?
You can request a quote for 3-Phenylamino acrylic acid methylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylamino acrylic acid methylester?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylamino acrylic acid methylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.