Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1)
TL;DR: Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1) (CAS 68052-20-0) is a chemical compound with molecular formula C12H16ClNO4 and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-dimethoxyphenyl)-2-iminoacetate;hydrochloride
Also Known As: Ethyl (3,4-dimethoxyphenyl)iminoacetate hydrochloride, Ethyl 3,4-Dimethoxy-alpha-iminophenylacetate hydrochloride, Benzeneacetic acid, .alpha.-imino-3,4-dimethoxy-, ethyl ester, hydrochloride, ethyl 2-(3,4-dimethoxyphenyl)iminoacetate,hydrochloride, ethyl 2-(3,4-dimethoxyphenyl)-2-iminoacetate hydrochloride
| Molecular Formula | C12H16ClNO4 |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 2.06 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.07678 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 68052-20-0 |
|---|---|
| SMILES | CCOC(=O)C(=N)C1=CC(=C(C=C1)OC)OC.Cl |
| InChIKey | WRYHGHYANGDBOG-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1) (CAS 68052-20-0), with molecular formula C12H16ClNO4 and molecular weight 273.08 g/mol. IUPAC: ethyl 2-(3,4-dimethoxyphenyl)-2-iminoacetate;hydrochloride.
Chemical Property Profile of Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1)
Property Insights of Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1)
The XLogP value of 2.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1). The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1). Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1) has 2 hydrogen bond donor(s) and 5 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-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1)?
The CAS number of Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1) is 68052-20-0.
What is the molecular formula of Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1)?
The molecular formula of Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1) is C12H16ClNO4.
What is the molecular weight of Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1)?
The molecular weight of Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1) is 273.08 g/mol.
Where can I buy Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1)?
You can request a quote for Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, 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-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.