Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester
TL;DR: Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester (CAS 75315-55-8) is a chemical compound with molecular formula C12H14Cl2O5 and molecular weight 308.02 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)acetate
Also Known As: J1.590.990K, Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester, methyl 2-(2,6-dichloro-3,4,5-trimethoxyphenyl)acetate, Methyl (2,6-dichloro-3,4,5-trimethoxyphenyl)acetate, METHYL 2,6-DICHLORO-3,4,5-TRIMETHOXYBENZENEACET*
| Molecular Formula | C12H14Cl2O5 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.02182 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 75315-55-8 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1OC)Cl)CC(=O)OC)Cl)OC |
| InChIKey | IUYOOZMKTDDXHZ-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester (CAS 75315-55-8), with molecular formula C12H14Cl2O5 and molecular weight 308.02 g/mol. IUPAC: methyl 2-(2,6-dichloro-3,4,5-trimethoxyphenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester
Property Insights of Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester. With a topological polar surface area (TPSA) of 54.0 Ų, Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester has 0 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, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester?
The CAS number of Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester is 75315-55-8.
What is the molecular formula of Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester?
The molecular formula of Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester is C12H14Cl2O5.
What is the molecular weight of Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester?
The molecular weight of Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester is 308.02 g/mol.
Where can I buy Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester?
You can request a quote for Benzeneacetic acid, 2,6-dichloro-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-3,4,5-trimethoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2,6-dichloro-3,4,5-trimethoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.