RefChem:117367
TL;DR: RefChem:117367 (CAS 67828-67-5) is a chemical compound with molecular formula C9H12ClNO4 and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-2-(2,4-dihydroxyphenyl)acetate;hydrochloride
Also Known As: methyl[amino]acetatehydrochloride, Methyl (amino(2,4-dihydroxyphenyl))acetate hydrochloride, methyl(amino(2,4-dihydroxyphenyl))acetate hydrochloride, Methyl alpha-amino-2,4-dihydroxyphenylacetate, hydrochloride, Benzeneacetic acid, alpha-amino-2,4-dihydroxy-, methyl ester, hydrochloride
| Molecular Formula | C9H12ClNO4 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 0.69 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.04549 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 67828-67-5 |
|---|---|
| SMILES | COC(=O)C(C1=C(C=C(C=C1)O)O)N.Cl |
| InChIKey | XVEQRKIPCFXFKA-UHFFFAOYSA-N |
Product Overview
RefChem:117367 (CAS 67828-67-5), with molecular formula C9H12ClNO4 and molecular weight 233.05 g/mol. IUPAC: methyl 2-amino-2-(2,4-dihydroxyphenyl)acetate;hydrochloride.
Chemical Property Profile of RefChem:117367
Property Insights of RefChem:117367
The XLogP value of 0.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117367. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117367. Following Lipinski's Rule of Five, RefChem:117367 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:117367?
The CAS number of RefChem:117367 is 67828-67-5.
What is the molecular formula of RefChem:117367?
The molecular formula of RefChem:117367 is C9H12ClNO4.
What is the molecular weight of RefChem:117367?
The molecular weight of RefChem:117367 is 233.05 g/mol.
Where can I buy RefChem:117367?
You can request a quote for RefChem:117367 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117367?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117367 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.