Carbonic acid, p-bromophenyl methyl ester
TL;DR: Carbonic acid, p-bromophenyl methyl ester (CAS 1847-93-4) is a chemical compound with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) methyl carbonate
Also Known As: (4-bromophenyl) methyl carbonate, 4-Bromophenyl methyl carbonate, Carbonic acid methyl(p-bromophenyl) ester, 4-Bromophenyl methyl carbonate #, Carbonic acid p-bromophenyl=methyl
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 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 | 229.95786 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 1847-93-4 |
|---|---|
| SMILES | COC(=O)OC1=CC=C(C=C1)Br |
| InChIKey | FPNDGKIIOGUURR-UHFFFAOYSA-N |
Product Overview
Carbonic acid, p-bromophenyl methyl ester (CAS 1847-93-4), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: (4-bromophenyl) methyl carbonate.
Chemical Property Profile of Carbonic acid, p-bromophenyl methyl ester
Property Insights of Carbonic acid, p-bromophenyl methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, p-bromophenyl methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Carbonic acid, p-bromophenyl methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, p-bromophenyl 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, p-bromophenyl methyl ester?
The CAS number of Carbonic acid, p-bromophenyl methyl ester is 1847-93-4.
What is the molecular formula of Carbonic acid, p-bromophenyl methyl ester?
The molecular formula of Carbonic acid, p-bromophenyl methyl ester is C8H7BrO3.
What is the molecular weight of Carbonic acid, p-bromophenyl methyl ester?
The molecular weight of Carbonic acid, p-bromophenyl methyl ester is 229.96 g/mol.
Where can I buy Carbonic acid, p-bromophenyl methyl ester?
You can request a quote for Carbonic acid, p-bromophenyl 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, p-bromophenyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, p-bromophenyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.