Trimethyl 4-bromoorthobutyrate
TL;DR: Trimethyl 4-bromoorthobutyrate (CAS 55444-67-2) is a chemical compound with molecular formula C7H15BrO3 and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1,1,1-trimethoxybutane
Also Known As: 4-Bromo-1,1,1-trimethoxybutane, Trimethyl 4-bromoorthobutyrate, 4-bromo-1,1,1-trimethoxy-butane, trimethyl ortho-4-bromobutanoate, 1-bromo-4,4,4-trimethoxybutane
| Molecular Formula | C7H15BrO3 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 1.7545 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.02046 |
| Heavy Atoms | 11 |
| Complexity | 85.421814 |
Chemical Identifiers
| CAS Number | 55444-67-2 |
|---|---|
| SMILES | COC(CCCBr)(OC)OC |
Product Overview
Trimethyl 4-bromoorthobutyrate (CAS 55444-67-2), with molecular formula C7H15BrO3 and molecular weight 226.02 g/mol. IUPAC: 4-bromo-1,1,1-trimethoxybutane.
Chemical Property Profile of Trimethyl 4-bromoorthobutyrate
Property Insights of Trimethyl 4-bromoorthobutyrate
The XLogP value of 1.7545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl 4-bromoorthobutyrate. With a topological polar surface area (TPSA) of 27.69 Ų, Trimethyl 4-bromoorthobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethyl 4-bromoorthobutyrate 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 Trimethyl 4-bromoorthobutyrate?
The CAS number of Trimethyl 4-bromoorthobutyrate is 55444-67-2.
What is the molecular formula of Trimethyl 4-bromoorthobutyrate?
The molecular formula of Trimethyl 4-bromoorthobutyrate is C7H15BrO3.
What is the molecular weight of Trimethyl 4-bromoorthobutyrate?
The molecular weight of Trimethyl 4-bromoorthobutyrate is 226.02 g/mol.
Where can I buy Trimethyl 4-bromoorthobutyrate?
You can request a quote for Trimethyl 4-bromoorthobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl 4-bromoorthobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl 4-bromoorthobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.