3-Methoxybutyl 2-bromopropanoate
TL;DR: 3-Methoxybutyl 2-bromopropanoate (CAS 5434-48-0) is a chemical compound with molecular formula C8H15BrO3 and molecular weight 238.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybutyl 2-bromopropanoate
Also Known As: 3-methoxybutyl 2-bromopropanoate, 3-methoxybutyl2-bromopropanoate, 4,5-methylenedioxy-2-bromobenzyl bromide, Propanoic acid,2-bromo-, 3-methoxybutyl ester
| Molecular Formula | C8H15BrO3 |
|---|---|
| Molecular Weight | 238.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.02046 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 5434-48-0 |
|---|---|
| SMILES | CC(CCOC(=O)C(C)Br)OC |
| InChIKey | HGPKPMHJDZJVIY-UHFFFAOYSA-N |
Product Overview
3-Methoxybutyl 2-bromopropanoate (CAS 5434-48-0), with molecular formula C8H15BrO3 and molecular weight 238.02 g/mol. IUPAC: 3-methoxybutyl 2-bromopropanoate.
Chemical Property Profile of 3-Methoxybutyl 2-bromopropanoate
Property Insights of 3-Methoxybutyl 2-bromopropanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybutyl 2-bromopropanoate. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methoxybutyl 2-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybutyl 2-bromopropanoate 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-Methoxybutyl 2-bromopropanoate?
The CAS number of 3-Methoxybutyl 2-bromopropanoate is 5434-48-0.
What is the molecular formula of 3-Methoxybutyl 2-bromopropanoate?
The molecular formula of 3-Methoxybutyl 2-bromopropanoate is C8H15BrO3.
What is the molecular weight of 3-Methoxybutyl 2-bromopropanoate?
The molecular weight of 3-Methoxybutyl 2-bromopropanoate is 238.02 g/mol.
Where can I buy 3-Methoxybutyl 2-bromopropanoate?
You can request a quote for 3-Methoxybutyl 2-bromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybutyl 2-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybutyl 2-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.