Propan-2-yl 2-bromohexanoate
TL;DR: Propan-2-yl 2-bromohexanoate (CAS 6306-00-9) 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 2-bromohexanoate
Also Known As: propan-2-yl 2-bromohexanoate, propan-2-yl2-bromohexanoate, ISOPROPYL 2-BROMOHEXANOATE, Hexanoic acid,2-bromo-, 1-methylethyl ester, Hexanoic acid,2-bromo-,1-methylethyl ester
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.04118 |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 6306-00-9 |
|---|---|
| SMILES | CCCCC(C(=O)OC(C)C)Br |
| InChIKey | VJVQVUOTLKQHCD-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 2-bromohexanoate (CAS 6306-00-9), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: propan-2-yl 2-bromohexanoate.
Chemical Property Profile of Propan-2-yl 2-bromohexanoate
Property Insights of Propan-2-yl 2-bromohexanoate
The XLogP value of 3.5 indicates that Propan-2-yl 2-bromohexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propan-2-yl 2-bromohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 2-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 Propan-2-yl 2-bromohexanoate?
The CAS number of Propan-2-yl 2-bromohexanoate is 6306-00-9.
What is the molecular formula of Propan-2-yl 2-bromohexanoate?
The molecular formula of Propan-2-yl 2-bromohexanoate is C9H17BrO2.
What is the molecular weight of Propan-2-yl 2-bromohexanoate?
The molecular weight of Propan-2-yl 2-bromohexanoate is 236.04 g/mol.
Where can I buy Propan-2-yl 2-bromohexanoate?
You can request a quote for Propan-2-yl 2-bromohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-bromohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-bromohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.