Methanimidic acid, N-phenyl-, ethyl ester
TL;DR: Methanimidic acid, N-phenyl-, ethyl ester (CAS 6780-49-0) 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.
ethyl N-phenylmethanimidate
Also Known As: Ethyl N-phenylformimidate, Ethyl isoformanilide, Ethylisoformanilide, ethyl N-phenylmethanimidate, N-Ethoxymethyleneaniline
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 6780-49-0 |
|---|---|
| SMILES | CCOC=NC1=CC=CC=C1 |
| InChIKey | DRDBNKYFCOLNQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methanimidic acid, N-phenyl-, ethyl ester (CAS 6780-49-0), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: ethyl N-phenylmethanimidate.
Chemical Property Profile of Methanimidic acid, N-phenyl-, ethyl ester
Property Insights of Methanimidic acid, N-phenyl-, ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanimidic acid, N-phenyl-, ethyl ester. With a topological polar surface area (TPSA) of 21.6 Ų, Methanimidic acid, N-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanimidic acid, N-phenyl-, ethyl ester 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 Methanimidic acid, N-phenyl-, ethyl ester?
The CAS number of Methanimidic acid, N-phenyl-, ethyl ester is 6780-49-0.
What is the molecular formula of Methanimidic acid, N-phenyl-, ethyl ester?
The molecular formula of Methanimidic acid, N-phenyl-, ethyl ester is C9H11NO.
What is the molecular weight of Methanimidic acid, N-phenyl-, ethyl ester?
The molecular weight of Methanimidic acid, N-phenyl-, ethyl ester is 149.08 g/mol.
Where can I buy Methanimidic acid, N-phenyl-, ethyl ester?
You can request a quote for Methanimidic acid, N-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanimidic acid, N-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methanimidic acid, N-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.