3-Bromopropylacetate
TL;DR: 3-Bromopropylacetate (CAS 592-33-6) is a chemical compound with molecular formula C5H8BrO2- and molecular weight 178.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromopentanoate
Also Known As: 5-bromopentanoate, 3-BROMOPROPYLACETATE, 5-bromovalerate, C5H8BrO2-, 3-BROMOPROPYL ACETATE
| Molecular Formula | C5H8BrO2- |
|---|---|
| Molecular Weight | 178.97 g/mol |
| LogP | 0.3015 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.97076 |
| Heavy Atoms | 8 |
| Complexity | 72.82892 |
Chemical Identifiers
| CAS Number | 592-33-6 |
|---|---|
| SMILES | C(CCBr)CC(=O)[O-] |
Product Overview
3-Bromopropylacetate (CAS 592-33-6), with molecular formula C5H8BrO2- and molecular weight 178.97 g/mol. IUPAC: 5-bromopentanoate.
Chemical Property Profile of 3-Bromopropylacetate
Property Insights of 3-Bromopropylacetate
The XLogP value of 0.3015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromopropylacetate. With a topological polar surface area (TPSA) of 40.13 Ų, 3-Bromopropylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromopropylacetate 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 3-Bromopropylacetate?
The CAS number of 3-Bromopropylacetate is 592-33-6.
What is the molecular formula of 3-Bromopropylacetate?
The molecular formula of 3-Bromopropylacetate is C5H8BrO2-.
What is the molecular weight of 3-Bromopropylacetate?
The molecular weight of 3-Bromopropylacetate is 178.97 g/mol.
Where can I buy 3-Bromopropylacetate?
You can request a quote for 3-Bromopropylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromopropylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromopropylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.