3-Bromophenyl 2-methylpropyl carbonate
TL;DR: 3-Bromophenyl 2-methylpropyl carbonate (CAS 54191-03-6) is a chemical compound with molecular formula C11H13BrO3 and molecular weight 272.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl) 2-methylpropyl carbonate
Also Known As: Dmcph-epoxide, 3-Bromophenol, isoBOC, 3-bromophenyl 2-methylpropyl carbonate, 3-Bromophenyl isobutyl carbonate, (3-bromophenyl) 2-methylpropyl carbonate
| Molecular Formula | C11H13BrO3 |
|---|---|
| Molecular Weight | 272.00 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.00482 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 54191-03-6 |
|---|---|
| SMILES | CC(C)COC(=O)OC1=CC(=CC=C1)Br |
| InChIKey | BGVXUCZFFMKOEG-UHFFFAOYSA-N |
Product Overview
3-Bromophenyl 2-methylpropyl carbonate (CAS 54191-03-6), with molecular formula C11H13BrO3 and molecular weight 272.00 g/mol. IUPAC: (3-bromophenyl) 2-methylpropyl carbonate.
Chemical Property Profile of 3-Bromophenyl 2-methylpropyl carbonate
Property Insights of 3-Bromophenyl 2-methylpropyl carbonate
The XLogP value of 4.1 indicates that 3-Bromophenyl 2-methylpropyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Bromophenyl 2-methylpropyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromophenyl 2-methylpropyl carbonate 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 3-Bromophenyl 2-methylpropyl carbonate?
The CAS number of 3-Bromophenyl 2-methylpropyl carbonate is 54191-03-6.
What is the molecular formula of 3-Bromophenyl 2-methylpropyl carbonate?
The molecular formula of 3-Bromophenyl 2-methylpropyl carbonate is C11H13BrO3.
What is the molecular weight of 3-Bromophenyl 2-methylpropyl carbonate?
The molecular weight of 3-Bromophenyl 2-methylpropyl carbonate is 272.00 g/mol.
Where can I buy 3-Bromophenyl 2-methylpropyl carbonate?
You can request a quote for 3-Bromophenyl 2-methylpropyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromophenyl 2-methylpropyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromophenyl 2-methylpropyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.