Isopropyl 6-bromohexanoate
TL;DR: Isopropyl 6-bromohexanoate (CAS 64135-07-5) 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.
propan-2-yl 6-bromohexanoate
Also Known As: Isopropyl 6-bromohexanoate, propan-2-yl 6-bromohexanoate, starbld0044877, Isopropyl 6-bromohexanoate #, 6-bromohexanoic acid isopropyl ester
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.7 |
| 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 | 124.0 |
Chemical Identifiers
| CAS Number | 64135-07-5 |
|---|---|
| SMILES | CC(C)OC(=O)CCCCCBr |
| InChIKey | ZCNHDLQYRACYQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 6-bromohexanoate (CAS 64135-07-5), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: propan-2-yl 6-bromohexanoate.
Chemical Property Profile of Isopropyl 6-bromohexanoate
Property Insights of Isopropyl 6-bromohexanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 6-bromohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl 6-bromohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 6-bromohexanoate 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 6-bromohexanoate?
The CAS number of Isopropyl 6-bromohexanoate is 64135-07-5.
What is the molecular formula of Isopropyl 6-bromohexanoate?
The molecular formula of Isopropyl 6-bromohexanoate is C9H17BrO2.
What is the molecular weight of Isopropyl 6-bromohexanoate?
The molecular weight of Isopropyl 6-bromohexanoate is 236.04 g/mol.
Where can I buy Isopropyl 6-bromohexanoate?
You can request a quote for Isopropyl 6-bromohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 6-bromohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 6-bromohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.