Benzeneethanimidic acid, methyl ester
TL;DR: Benzeneethanimidic acid, methyl ester (CAS 24433-82-7) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenylethanimidate
Also Known As: methyl 2-phenylethanimidate, methyl phenylacetimidate, methyl 2-phenylethanecarboximidate, Benzeneethanimidic acid, methyl ester, alpha-Methoxybenzeneethanimine
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 24433-82-7 |
|---|---|
| SMILES | COC(=N)CC1=CC=CC=C1 |
| InChIKey | GKRCMFSWPXMFMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneethanimidic acid, methyl ester (CAS 24433-82-7), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: methyl 2-phenylethanimidate.
Chemical Property Profile of Benzeneethanimidic acid, methyl ester
Property Insights of Benzeneethanimidic acid, methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanimidic acid, methyl ester. With a topological polar surface area (TPSA) of 33.1 Ų, Benzeneethanimidic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanimidic acid, methyl ester has 1 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 Benzeneethanimidic acid, methyl ester?
The CAS number of Benzeneethanimidic acid, methyl ester is 24433-82-7.
What is the molecular formula of Benzeneethanimidic acid, methyl ester?
The molecular formula of Benzeneethanimidic acid, methyl ester is C9H11NO.
What is the molecular weight of Benzeneethanimidic acid, methyl ester?
The molecular weight of Benzeneethanimidic acid, methyl ester is 149.08 g/mol.
Where can I buy Benzeneethanimidic acid, methyl ester?
You can request a quote for Benzeneethanimidic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanimidic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanimidic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.