Carbonic acid, 2,3-dimethylphenyl methyl ester
TL;DR: Carbonic acid, 2,3-dimethylphenyl methyl ester (CAS 54644-37-0) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethylphenyl) methyl carbonate
Also Known As: 2,3-Dimethylphenyl methyl carbonate, Carbonic acid 2,3-dimethylphenyl=methyl, (2,3-dimethylphenyl) methyl carbonate, Carbonic acid methyl 2,3-xylyl ester, 2,3-Dimethylphenyl methyl carbonate #
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 54644-37-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC(=O)OC)C |
| InChIKey | IAZRNQZSSQNSQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid, 2,3-dimethylphenyl methyl ester (CAS 54644-37-0), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: (2,3-dimethylphenyl) methyl carbonate.
Chemical Property Profile of Carbonic acid, 2,3-dimethylphenyl methyl ester
Property Insights of Carbonic acid, 2,3-dimethylphenyl methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, 2,3-dimethylphenyl methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Carbonic acid, 2,3-dimethylphenyl methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, 2,3-dimethylphenyl methyl ester has 0 hydrogen bond donor(s) and 3 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 Carbonic acid, 2,3-dimethylphenyl methyl ester?
The CAS number of Carbonic acid, 2,3-dimethylphenyl methyl ester is 54644-37-0.
What is the molecular formula of Carbonic acid, 2,3-dimethylphenyl methyl ester?
The molecular formula of Carbonic acid, 2,3-dimethylphenyl methyl ester is C10H12O3.
What is the molecular weight of Carbonic acid, 2,3-dimethylphenyl methyl ester?
The molecular weight of Carbonic acid, 2,3-dimethylphenyl methyl ester is 180.08 g/mol.
Where can I buy Carbonic acid, 2,3-dimethylphenyl methyl ester?
You can request a quote for Carbonic acid, 2,3-dimethylphenyl methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, 2,3-dimethylphenyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 2,3-dimethylphenyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.