RefChem:562829
TL;DR: RefChem:562829 (CAS 67828-39-1) is a chemical compound with molecular formula C9H10ClNO4 and molecular weight 231.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dihydroxyphenyl)-2-iminoacetate;hydrochloride
Also Known As: Methyl (2,4-dihydroxyphenyl)iminoacetate hydrochloride, Methyl 2,4-dihydroxy-alpha-iminophenyl acetate, hydrochloride, Benzeneacetic acid, 2,4-dihydroxy-alpha-imino-, methyl ester, hydrochloride, methyl 2-(2,4-dihydroxyphenyl)iminoacetate,hydrochloride, Benzeneacetic acid, 2,4-dihydroxy-alpha-imino-, methyl ester, hydrochloride (1:1)
| Molecular Formula | C9H10ClNO4 |
|---|---|
| Molecular Weight | 231.03 g/mol |
| LogP | 1.06 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.02983 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 67828-39-1 |
|---|---|
| SMILES | COC(=O)C(=N)C1=C(C=C(C=C1)O)O.Cl |
| InChIKey | FDLZWPISXDXKKF-UHFFFAOYSA-N |
Product Overview
RefChem:562829 (CAS 67828-39-1), with molecular formula C9H10ClNO4 and molecular weight 231.03 g/mol. IUPAC: methyl 2-(2,4-dihydroxyphenyl)-2-iminoacetate;hydrochloride.
Chemical Property Profile of RefChem:562829
Property Insights of RefChem:562829
The XLogP value of 1.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:562829. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:562829. Following Lipinski's Rule of Five, RefChem:562829 has 4 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:562829?
The CAS number of RefChem:562829 is 67828-39-1.
What is the molecular formula of RefChem:562829?
The molecular formula of RefChem:562829 is C9H10ClNO4.
What is the molecular weight of RefChem:562829?
The molecular weight of RefChem:562829 is 231.03 g/mol.
Where can I buy RefChem:562829?
You can request a quote for RefChem:562829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:562829?
Yes, KEHONG BIO provides custom synthesis services for RefChem:562829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.