5-Bromo-3-methylpentyl acetate
TL;DR: 5-Bromo-3-methylpentyl acetate (CAS 125161-79-7) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-3-methylpentyl) acetate
Also Known As: 5-Bromo-3-methylpentyl acetate, (5-bromo-3-methylpentyl) acetate, 5-Bromo-3-methylpentyl acetate #, 1-acetoxy-5-bromo-3-methylpentane, Acetic acid, 5-bromo-3-methylpenthyl ester
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 125161-79-7 |
|---|---|
| SMILES | CC(CCOC(=O)C)CCBr |
| InChIKey | BDTWCRYXFRYVAL-UHFFFAOYSA-N |
Product Overview
5-Bromo-3-methylpentyl acetate (CAS 125161-79-7), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: (5-bromo-3-methylpentyl) acetate.
Chemical Property Profile of 5-Bromo-3-methylpentyl acetate
Property Insights of 5-Bromo-3-methylpentyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-3-methylpentyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Bromo-3-methylpentyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-3-methylpentyl acetate 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 5-Bromo-3-methylpentyl acetate?
The CAS number of 5-Bromo-3-methylpentyl acetate is 125161-79-7.
What is the molecular formula of 5-Bromo-3-methylpentyl acetate?
The molecular formula of 5-Bromo-3-methylpentyl acetate is C8H15BrO2.
What is the molecular weight of 5-Bromo-3-methylpentyl acetate?
The molecular weight of 5-Bromo-3-methylpentyl acetate is 222.03 g/mol.
Where can I buy 5-Bromo-3-methylpentyl acetate?
You can request a quote for 5-Bromo-3-methylpentyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3-methylpentyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-methylpentyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.