Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1)
TL;DR: Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1) (CAS 67828-60-8) is a chemical compound with molecular formula C10H14ClNO3 and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-2-(4-hydroxyphenyl)acetate;hydrochloride
Also Known As: Ethyl 4-hydroxy-alpha-aminophenylacetate, hydrochloride, Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride, ethyl 4-hydroxy-, A-aminophenylacetate, hydrochloride, Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1)
| Molecular Formula | C10H14ClNO3 |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.06622 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 67828-60-8 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)O)N.Cl |
| InChIKey | MXLLJFWHGGZGTM-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1) (CAS 67828-60-8), with molecular formula C10H14ClNO3 and molecular weight 231.07 g/mol. IUPAC: ethyl 2-amino-2-(4-hydroxyphenyl)acetate;hydrochloride.
Chemical Property Profile of Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1)
Property Insights of Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1)
The XLogP value of 1.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1). The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1). Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-amino-4-hydroxy-, 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, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1)?
The CAS number of Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1) is 67828-60-8.
What is the molecular formula of Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1)?
The molecular formula of Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1) is C10H14ClNO3.
What is the molecular weight of Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1)?
The molecular weight of Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1) is 231.07 g/mol.
Where can I buy Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1)?
You can request a quote for Benzeneacetic acid, alpha-amino-4-hydroxy-, 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, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.