(3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate
TL;DR: (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate (CAS 112473-71-9) is a chemical compound with molecular formula C19H21BrO3 and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate
Also Known As: (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate, (3-phenoxyphenyl)methyl 2-bromo-3,3-dimethyl-butanoate, Butanoic acid, 2-bromo-3,3-dimethyl-, (3-phenoxyphenyl)methyl ester
| Molecular Formula | C19H21BrO3 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.0674 |
| Heavy Atoms | 23 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 112473-71-9 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)Br |
| InChIKey | AKXNJRTVYMUMDE-UHFFFAOYSA-N |
Product Overview
(3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate (CAS 112473-71-9), with molecular formula C19H21BrO3 and molecular weight 376.07 g/mol. IUPAC: (3-phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate
Property Insights of (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate
The XLogP value of 6.1 indicates that (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate 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-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate?
The CAS number of (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate is 112473-71-9.
What is the molecular formula of (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate is C19H21BrO3.
What is the molecular weight of (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate is 376.07 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl 2-bromo-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.