Butyl 4-bromobutanoate
TL;DR: Butyl 4-bromobutanoate (CAS 3560-75-6) 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.
butyl 4-bromobutanoate
Also Known As: Butyl 4-bromobutanoate, BUTYL 4-BROMOBUTYRATE, 4-Bromobutyl butyrate, 1-Butyl 4-bromobutyrate, Butyl 4-bromobutanoate #
| 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 | 7 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 3560-75-6 |
|---|---|
| SMILES | CCCCOC(=O)CCCBr |
| InChIKey | DOIADMYDAWSCKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 4-bromobutanoate (CAS 3560-75-6), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: butyl 4-bromobutanoate.
Chemical Property Profile of Butyl 4-bromobutanoate
Property Insights of Butyl 4-bromobutanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-bromobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 4-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-bromobutanoate 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 Butyl 4-bromobutanoate?
The CAS number of Butyl 4-bromobutanoate is 3560-75-6.
What is the molecular formula of Butyl 4-bromobutanoate?
The molecular formula of Butyl 4-bromobutanoate is C8H15BrO2.
What is the molecular weight of Butyl 4-bromobutanoate?
The molecular weight of Butyl 4-bromobutanoate is 222.03 g/mol.
Where can I buy Butyl 4-bromobutanoate?
You can request a quote for Butyl 4-bromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-bromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.