Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1)
TL;DR: Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1) (CAS 68758-63-4) is a chemical compound with molecular formula C10H12ClNO3 and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-hydroxyphenyl)-2-iminoacetate;hydrochloride
Also Known As: Ethyl alpha-imino-4-hydroxyphenylacetate, hydrochloride, Benzeneacetic acid, 4-hydroxy-.alpha.-imino-, ethyl ester, hydrochloride, Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride, Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1), Ethyl (4-hydroxyphenyl)(imino)acetate--hydrogen chloride (1/1)
| Molecular Formula | C10H12ClNO3 |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | 1.74 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.05057 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 68758-63-4 |
|---|---|
| SMILES | CCOC(=O)C(=N)C1=CC=C(C=C1)O.Cl |
| InChIKey | ZKMJXHJYMJEIKU-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1) (CAS 68758-63-4), with molecular formula C10H12ClNO3 and molecular weight 229.05 g/mol. IUPAC: ethyl 2-(4-hydroxyphenyl)-2-iminoacetate;hydrochloride.
Chemical Property Profile of Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1)
Property Insights of Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1)
The XLogP value of 1.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1). The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1). Following Lipinski's Rule of Five, Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1) has 3 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 Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1)?
The CAS number of Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1) is 68758-63-4.
What is the molecular formula of Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1)?
The molecular formula of Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1) is C10H12ClNO3.
What is the molecular weight of Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1)?
The molecular weight of Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1) is 229.05 g/mol.
Where can I buy Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1)?
You can request a quote for Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-hydroxy-alpha-imino-, ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.