Carbonic acid, methyl 3,4-xylyl ester
TL;DR: Carbonic acid, methyl 3,4-xylyl ester (CAS 31268-81-2) 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.
(3,4-dimethylphenyl) methyl carbonate
Also Known As: 3,4-Dimethylphenyl methyl carbonate, Carbonic acid methyl 3,4-xylyl ester, Carbonic acid, methyl 3,4-xylyl ester, (3,4-dimethylphenyl) methyl carbonate, 3,4-Dimethylphenyl methyl carbonate #
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.8 |
| 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 | 31268-81-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(=O)OC)C |
| InChIKey | KVGOUEABRACBPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid, methyl 3,4-xylyl ester (CAS 31268-81-2), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: (3,4-dimethylphenyl) methyl carbonate.
Chemical Property Profile of Carbonic acid, methyl 3,4-xylyl ester
Property Insights of Carbonic acid, methyl 3,4-xylyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, methyl 3,4-xylyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Carbonic acid, methyl 3,4-xylyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, methyl 3,4-xylyl 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, methyl 3,4-xylyl ester?
The CAS number of Carbonic acid, methyl 3,4-xylyl ester is 31268-81-2.
What is the molecular formula of Carbonic acid, methyl 3,4-xylyl ester?
The molecular formula of Carbonic acid, methyl 3,4-xylyl ester is C10H12O3.
What is the molecular weight of Carbonic acid, methyl 3,4-xylyl ester?
The molecular weight of Carbonic acid, methyl 3,4-xylyl ester is 180.08 g/mol.
Where can I buy Carbonic acid, methyl 3,4-xylyl ester?
You can request a quote for Carbonic acid, methyl 3,4-xylyl 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, methyl 3,4-xylyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, methyl 3,4-xylyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.