Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-
TL;DR: Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino- (CAS 64037-28-1) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-imino-1,3-benzoxazol-3-yl)propanoate
Also Known As: 3(2H)-Benzoxazolepropanoic acid, 2-imino-, ethyl ester, BENZOXAZOLINE, 3-(2-(ETHOXYCARBONYL)ETHYL)-2-IMINO-, ethyl 3-(2-imino-1,3-benzoxazol-3-yl)propanoate, 2-Imino-3(2H)-benzoxazolepropionic acid ethyl ester, Ethyl 3-(2-imino-1,3-benzoxazol-3(2H)-yl)propanoate
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 64037-28-1 |
|---|---|
| SMILES | CCOC(=O)CCN1C2=CC=CC=C2OC1=N |
| InChIKey | CEZZCJWBLHCTMD-UHFFFAOYSA-N |
Product Overview
Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino- (CAS 64037-28-1), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: ethyl 3-(2-imino-1,3-benzoxazol-3-yl)propanoate.
Chemical Property Profile of Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-
Property Insights of Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-. Following Lipinski's Rule of Five, Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino- has 1 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 Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-?
The CAS number of Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino- is 64037-28-1.
What is the molecular formula of Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-?
The molecular formula of Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino- is C12H14N2O3.
What is the molecular weight of Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-?
The molecular weight of Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino- is 234.10 g/mol.
Where can I buy Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-?
You can request a quote for Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.