4-Penten-1-ol, bromoacetate
TL;DR: 4-Penten-1-ol, bromoacetate (CAS 90449-01-7) is a chemical compound with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-4-enyl 2-bromoacetate
Also Known As: 4-Penten-1-ol, bromoacetate, pent-4-enyl 2-bromoacetate, pent-4-en-1-yl 2-bromoacetate, Bromoacetic acid 4-pentenyl ester, Acetic acid, 2-bromo-, 4-penten-1-yl ester
| Molecular Formula | C7H11BrO2 |
|---|---|
| Molecular Weight | 205.99 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 | 205.99425 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 90449-01-7 |
|---|---|
| SMILES | C=CCCCOC(=O)CBr |
| InChIKey | USDMNMTWYGUAAS-UHFFFAOYSA-N |
Product Overview
4-Penten-1-ol, bromoacetate (CAS 90449-01-7), with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol. IUPAC: pent-4-enyl 2-bromoacetate.
Chemical Property Profile of 4-Penten-1-ol, bromoacetate
Property Insights of 4-Penten-1-ol, bromoacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Penten-1-ol, bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Penten-1-ol, bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Penten-1-ol, bromoacetate 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 4-Penten-1-ol, bromoacetate?
The CAS number of 4-Penten-1-ol, bromoacetate is 90449-01-7.
What is the molecular formula of 4-Penten-1-ol, bromoacetate?
The molecular formula of 4-Penten-1-ol, bromoacetate is C7H11BrO2.
What is the molecular weight of 4-Penten-1-ol, bromoacetate?
The molecular weight of 4-Penten-1-ol, bromoacetate is 205.99 g/mol.
Where can I buy 4-Penten-1-ol, bromoacetate?
You can request a quote for 4-Penten-1-ol, bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Penten-1-ol, bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Penten-1-ol, bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.