Carbonic acid, 3-methoxyphenyl methyl ester
TL;DR: Carbonic acid, 3-methoxyphenyl methyl ester (CAS 54644-49-4) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxyphenyl) methyl carbonate
Also Known As: 3-Methoxyphenyl methyl carbonate, Carbonic acid, 3-methoxyphenyl methyl ester, (3-methoxyphenyl) methyl carbonate, 3-Methoxyphenyl methyl carbonate #, Carbonic acid 3-methoxyphenyl=methyl
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 54644-49-4 |
|---|---|
| SMILES | COC1=CC(=CC=C1)OC(=O)OC |
| InChIKey | OOYSSNVOCKQYGX-UHFFFAOYSA-N |
Product Overview
Carbonic acid, 3-methoxyphenyl methyl ester (CAS 54644-49-4), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: (3-methoxyphenyl) methyl carbonate.
Chemical Property Profile of Carbonic acid, 3-methoxyphenyl methyl ester
Property Insights of Carbonic acid, 3-methoxyphenyl methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, 3-methoxyphenyl methyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Carbonic acid, 3-methoxyphenyl methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, 3-methoxyphenyl methyl ester has 0 hydrogen bond donor(s) and 4 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, 3-methoxyphenyl methyl ester?
The CAS number of Carbonic acid, 3-methoxyphenyl methyl ester is 54644-49-4.
What is the molecular formula of Carbonic acid, 3-methoxyphenyl methyl ester?
The molecular formula of Carbonic acid, 3-methoxyphenyl methyl ester is C9H10O4.
What is the molecular weight of Carbonic acid, 3-methoxyphenyl methyl ester?
The molecular weight of Carbonic acid, 3-methoxyphenyl methyl ester is 182.06 g/mol.
Where can I buy Carbonic acid, 3-methoxyphenyl methyl ester?
You can request a quote for Carbonic acid, 3-methoxyphenyl 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, 3-methoxyphenyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 3-methoxyphenyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.