Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester
TL;DR: Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester (CAS 75315-57-0) is a chemical compound with molecular formula C12H14Cl2O6 and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,6-dichloro-3,4,5-trimethoxyphenyl)-2-hydroxyacetate
Also Known As: J1.590.992G, methyl 2-(2,6-dichloro-3,4,5-trimethoxyphenyl)-2-hydroxyacetate, Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester, 2,6-DICHLORO-ALPHA-HYDROXY-3,4,5-TRIMETHOXYBEN*, Methyl (2,6-dichloro-3,4,5-trimethoxyphenyl)(hydroxy)acetate
| Molecular Formula | C12H14Cl2O6 |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.01675 |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 75315-57-0 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1OC)Cl)C(C(=O)OC)O)Cl)OC |
| InChIKey | RKDRPMGBKZOIDE-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester (CAS 75315-57-0), with molecular formula C12H14Cl2O6 and molecular weight 324.02 g/mol. IUPAC: methyl 2-(2,6-dichloro-3,4,5-trimethoxyphenyl)-2-hydroxyacetate.
Chemical Property Profile of Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester
Property Insights of Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester has 1 hydrogen bond donor(s) and 6 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, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester?
The CAS number of Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester is 75315-57-0.
What is the molecular formula of Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester?
The molecular formula of Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester is C12H14Cl2O6.
What is the molecular weight of Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester?
The molecular weight of Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester is 324.02 g/mol.
Where can I buy Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester?
You can request a quote for Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.