Pentyl 2-bromobutanoate
TL;DR: Pentyl 2-bromobutanoate (CAS 86711-75-3) is a chemical compound with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-bromobutanoate
Also Known As: Pentyl 2-bromobutanoate, Pentyl 2-bromobutanoate #, Butanoic acid, 2-bromo-, pentyl ester, 2-Bromobutanoic acid pentyl ester, Butanoic acid,2-bromo-,pentyl ester
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.04118 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 86711-75-3 |
|---|---|
| SMILES | CCCCCOC(=O)C(CC)Br |
| InChIKey | TYNCRXMYKJONLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl 2-bromobutanoate (CAS 86711-75-3), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: pentyl 2-bromobutanoate.
Chemical Property Profile of Pentyl 2-bromobutanoate
Property Insights of Pentyl 2-bromobutanoate
The XLogP value of 3.6 indicates that Pentyl 2-bromobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl 2-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 2-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 Pentyl 2-bromobutanoate?
The CAS number of Pentyl 2-bromobutanoate is 86711-75-3.
What is the molecular formula of Pentyl 2-bromobutanoate?
The molecular formula of Pentyl 2-bromobutanoate is C9H17BrO2.
What is the molecular weight of Pentyl 2-bromobutanoate?
The molecular weight of Pentyl 2-bromobutanoate is 236.04 g/mol.
Where can I buy Pentyl 2-bromobutanoate?
You can request a quote for Pentyl 2-bromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-bromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.