(4-Bromophenyl) 3-methylbutanoate
TL;DR: (4-Bromophenyl) 3-methylbutanoate (CAS 7511-72-0) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 3-methylbutanoate
Also Known As: 4-bromophenyl 3-methylbutanoate, (4-bromophenyl) 3-methylbutanoate, (4-bromophenyl)3-methylbutanoate
| Molecular Formula | C11H13BrO2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.0099 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 7511-72-0 |
|---|---|
| SMILES | CC(C)CC(=O)OC1=CC=C(C=C1)Br |
| InChIKey | ZRWJPFAXRUIONN-UHFFFAOYSA-N |
Product Overview
(4-Bromophenyl) 3-methylbutanoate (CAS 7511-72-0), with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol. IUPAC: (4-bromophenyl) 3-methylbutanoate.
Chemical Property Profile of (4-Bromophenyl) 3-methylbutanoate
Property Insights of (4-Bromophenyl) 3-methylbutanoate
The XLogP value of 3.9 indicates that (4-Bromophenyl) 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Bromophenyl) 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromophenyl) 3-methylbutanoate has 0 hydrogen bond donor(s) and 2 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 (4-Bromophenyl) 3-methylbutanoate?
The CAS number of (4-Bromophenyl) 3-methylbutanoate is 7511-72-0.
What is the molecular formula of (4-Bromophenyl) 3-methylbutanoate?
The molecular formula of (4-Bromophenyl) 3-methylbutanoate is C11H13BrO2.
What is the molecular weight of (4-Bromophenyl) 3-methylbutanoate?
The molecular weight of (4-Bromophenyl) 3-methylbutanoate is 256.01 g/mol.
Where can I buy (4-Bromophenyl) 3-methylbutanoate?
You can request a quote for (4-Bromophenyl) 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl) 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl) 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.