Acetic acid, bromo-, propyl ester
TL;DR: Acetic acid, bromo-, propyl ester (CAS 35223-80-4) is a chemical compound with molecular formula C5H9BrO2 and molecular weight 179.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-bromoacetate
Also Known As: Propyl bromoacetate, propyl 2-bromoacetate, N-Propyl Bromoacetate, Propylbromoacetate, Propyl-bromoacetate
| Molecular Formula | C5H9BrO2 |
|---|---|
| Molecular Weight | 179.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.97859 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 35223-80-4 |
|---|---|
| SMILES | CCCOC(=O)CBr |
| InChIKey | ISYUCUGTDNJIHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, bromo-, propyl ester (CAS 35223-80-4), with molecular formula C5H9BrO2 and molecular weight 179.98 g/mol. IUPAC: propyl 2-bromoacetate.
Chemical Property Profile of Acetic acid, bromo-, propyl ester
Property Insights of Acetic acid, bromo-, propyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, bromo-, propyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, bromo-, propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, bromo-, propyl ester 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 Acetic acid, bromo-, propyl ester?
The CAS number of Acetic acid, bromo-, propyl ester is 35223-80-4.
What is the molecular formula of Acetic acid, bromo-, propyl ester?
The molecular formula of Acetic acid, bromo-, propyl ester is C5H9BrO2.
What is the molecular weight of Acetic acid, bromo-, propyl ester?
The molecular weight of Acetic acid, bromo-, propyl ester is 179.98 g/mol.
Where can I buy Acetic acid, bromo-, propyl ester?
You can request a quote for Acetic acid, bromo-, propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, bromo-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, bromo-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.