Propyl 3-bromopropanoate
TL;DR: Propyl 3-bromopropanoate (CAS 5445-00-1) is a chemical compound with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-bromopropanoate
Also Known As: Propyl 3-bromopropanoate, 3-Brom-propionsaeure-propylester, Propanoic acid, 3-bromo, propyl ester, RefChem:375534
| Molecular Formula | C6H11BrO2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.99425 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 5445-00-1 |
|---|---|
| SMILES | CCCOC(=O)CCBr |
| InChIKey | DXFHVUUGWSXHQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 3-bromopropanoate (CAS 5445-00-1), with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol. IUPAC: propyl 3-bromopropanoate.
Chemical Property Profile of Propyl 3-bromopropanoate
Property Insights of Propyl 3-bromopropanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 3-bromopropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 3-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 3-bromopropanoate 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 Propyl 3-bromopropanoate?
The CAS number of Propyl 3-bromopropanoate is 5445-00-1.
What is the molecular formula of Propyl 3-bromopropanoate?
The molecular formula of Propyl 3-bromopropanoate is C6H11BrO2.
What is the molecular weight of Propyl 3-bromopropanoate?
The molecular weight of Propyl 3-bromopropanoate is 193.99 g/mol.
Where can I buy Propyl 3-bromopropanoate?
You can request a quote for Propyl 3-bromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 3-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 3-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.