Isopropyl 5-bromopentanoate
TL;DR: Isopropyl 5-bromopentanoate (CAS 13931-38-9) 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.
propan-2-yl 5-bromopentanoate
Also Known As: Isopropyl 5-bromopentanoate, propan-2-yl 5-bromopentanoate, 1-Methylethyl 5-bromopentanoate, 5-Bromopentanoic acid, isopropyl ester, Isopropyl 5-bromopentanoate #
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 13931-38-9 |
|---|---|
| SMILES | CC(C)OC(=O)CCCCBr |
| InChIKey | BNMDVZUARWALIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 5-bromopentanoate (CAS 13931-38-9), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: propan-2-yl 5-bromopentanoate.
Chemical Property Profile of Isopropyl 5-bromopentanoate
Property Insights of Isopropyl 5-bromopentanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 5-bromopentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl 5-bromopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 5-bromopentanoate 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 Isopropyl 5-bromopentanoate?
The CAS number of Isopropyl 5-bromopentanoate is 13931-38-9.
What is the molecular formula of Isopropyl 5-bromopentanoate?
The molecular formula of Isopropyl 5-bromopentanoate is C8H15BrO2.
What is the molecular weight of Isopropyl 5-bromopentanoate?
The molecular weight of Isopropyl 5-bromopentanoate is 222.03 g/mol.
Where can I buy Isopropyl 5-bromopentanoate?
You can request a quote for Isopropyl 5-bromopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 5-bromopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 5-bromopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.