(1-Ethoxyethylideneamino) benzoate
TL;DR: (1-Ethoxyethylideneamino) benzoate (CAS 80538-49-4) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethoxyethylideneamino) benzoate
Also Known As: (1-ethoxyethylideneamino) benzoate, [(E)-1-ethoxyethylideneamino] benzoate
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 80538-49-4 |
|---|---|
| SMILES | CCOC(=NOC(=O)C1=CC=CC=C1)C |
| InChIKey | PNULUYNWZNQACM-UHFFFAOYSA-N |
Product Overview
(1-Ethoxyethylideneamino) benzoate (CAS 80538-49-4), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: (1-ethoxyethylideneamino) benzoate.
Chemical Property Profile of (1-Ethoxyethylideneamino) benzoate
Property Insights of (1-Ethoxyethylideneamino) benzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Ethoxyethylideneamino) benzoate. With a topological polar surface area (TPSA) of 47.9 Ų, (1-Ethoxyethylideneamino) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Ethoxyethylideneamino) benzoate has 0 hydrogen bond donor(s) and 4 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 (1-Ethoxyethylideneamino) benzoate?
The CAS number of (1-Ethoxyethylideneamino) benzoate is 80538-49-4.
What is the molecular formula of (1-Ethoxyethylideneamino) benzoate?
The molecular formula of (1-Ethoxyethylideneamino) benzoate is C11H13NO3.
What is the molecular weight of (1-Ethoxyethylideneamino) benzoate?
The molecular weight of (1-Ethoxyethylideneamino) benzoate is 207.09 g/mol.
Where can I buy (1-Ethoxyethylideneamino) benzoate?
You can request a quote for (1-Ethoxyethylideneamino) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Ethoxyethylideneamino) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Ethoxyethylideneamino) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.