Undecyl 6-bromohexanoate
TL;DR: Undecyl 6-bromohexanoate (CAS 959040-06-3) is a chemical compound with molecular formula C17H33BrO2 and molecular weight 348.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecyl 6-bromohexanoate
Also Known As: Undecyl 6-bromohexanoate, Undecyl 6-bromohexanoate #, 6-Bromohexanoic acid, undecyl ester
| Molecular Formula | C17H33BrO2 |
|---|---|
| Molecular Weight | 348.17 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 348.16638 |
| Heavy Atoms | 20 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 959040-06-3 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)CCCCCBr |
| InChIKey | PSMKUXWNSBWYBS-UHFFFAOYSA-N |
Product Overview
Undecyl 6-bromohexanoate (CAS 959040-06-3), with molecular formula C17H33BrO2 and molecular weight 348.17 g/mol. IUPAC: undecyl 6-bromohexanoate.
Chemical Property Profile of Undecyl 6-bromohexanoate
Property Insights of Undecyl 6-bromohexanoate
The XLogP value of 6.9 indicates that Undecyl 6-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, Undecyl 6-bromohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecyl 6-bromohexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Undecyl 6-bromohexanoate?
The CAS number of Undecyl 6-bromohexanoate is 959040-06-3.
What is the molecular formula of Undecyl 6-bromohexanoate?
The molecular formula of Undecyl 6-bromohexanoate is C17H33BrO2.
What is the molecular weight of Undecyl 6-bromohexanoate?
The molecular weight of Undecyl 6-bromohexanoate is 348.17 g/mol.
Where can I buy Undecyl 6-bromohexanoate?
You can request a quote for Undecyl 6-bromohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecyl 6-bromohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Undecyl 6-bromohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.