RefChem:562935
TL;DR: RefChem:562935 (CAS 67828-59-5) is a chemical compound with molecular formula C11H14ClNO4 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,4-dimethoxyphenyl)-2-iminoacetate;hydrochloride
Also Known As: Methyl 3,4-dimethoxy-alpha-iminophenylacetate, hydrochloride, Benzeneacetic acid, .alpha.-imino-3,4-dimethoxy-, methyl ester, hydrochloride, Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, methyl ester, hydrochloride, Benzeneacetic acid, alpha-imino-3,4-dimethoxy-, methyl ester, hydrochloride (1:1), methyl 2-(3,4-dimethoxyphenyl)-2-iminoacetate hydrochloride
| Molecular Formula | C11H14ClNO4 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 1.67 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.06113 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 67828-59-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=N)C(=O)OC)OC.Cl |
| InChIKey | BEQPSUWHKUWAMU-UHFFFAOYSA-N |
Product Overview
RefChem:562935 (CAS 67828-59-5), with molecular formula C11H14ClNO4 and molecular weight 259.06 g/mol. IUPAC: methyl 2-(3,4-dimethoxyphenyl)-2-iminoacetate;hydrochloride.
Chemical Property Profile of RefChem:562935
Property Insights of RefChem:562935
The XLogP value of 1.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:562935. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:562935. Following Lipinski's Rule of Five, RefChem:562935 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 RefChem:562935?
The CAS number of RefChem:562935 is 67828-59-5.
What is the molecular formula of RefChem:562935?
The molecular formula of RefChem:562935 is C11H14ClNO4.
What is the molecular weight of RefChem:562935?
The molecular weight of RefChem:562935 is 259.06 g/mol.
Where can I buy RefChem:562935?
You can request a quote for RefChem:562935 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:562935?
Yes, KEHONG BIO provides custom synthesis services for RefChem:562935 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.