(3-Formylphenyl) methyl carbonate
TL;DR: (3-Formylphenyl) methyl carbonate (CAS 454466-57-0) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-formylphenyl) methyl carbonate
Also Known As: 3-formylphenyl methyl carbonate, (3-formylphenyl) Methyl Carbonate, Carbonic acid methyl(3-formylphenyl) ester, J2.533.531G
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.6443 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 319.14566 |
Chemical Identifiers
| CAS Number | 454466-57-0 |
|---|---|
| SMILES | COC(=O)OC1=CC=CC(=C1)C=O |
Product Overview
(3-Formylphenyl) methyl carbonate (CAS 454466-57-0), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: (3-formylphenyl) methyl carbonate.
Chemical Property Profile of (3-Formylphenyl) methyl carbonate
Property Insights of (3-Formylphenyl) methyl carbonate
The XLogP value of 1.6443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Formylphenyl) methyl carbonate. With a topological polar surface area (TPSA) of 52.6 Ų, (3-Formylphenyl) methyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Formylphenyl) methyl carbonate 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 (3-Formylphenyl) methyl carbonate?
The CAS number of (3-Formylphenyl) methyl carbonate is 454466-57-0.
What is the molecular formula of (3-Formylphenyl) methyl carbonate?
The molecular formula of (3-Formylphenyl) methyl carbonate is C9H8O4.
What is the molecular weight of (3-Formylphenyl) methyl carbonate?
The molecular weight of (3-Formylphenyl) methyl carbonate is 180.04 g/mol.
Where can I buy (3-Formylphenyl) methyl carbonate?
You can request a quote for (3-Formylphenyl) methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Formylphenyl) methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for (3-Formylphenyl) methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.