Heptyl 6-bromohexanoate
TL;DR: Heptyl 6-bromohexanoate (CAS 959265-07-7) is a chemical compound with molecular formula C13H25BrO2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 6-bromohexanoate
Also Known As: Heptyl 6-bromohexanoate, Heptyl 6-bromohexanoate #, 6-Bromohexanoic acid, heptyl ester
| Molecular Formula | C13H25BrO2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 292.1038 |
| Heavy Atoms | 16 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 959265-07-7 |
|---|---|
| SMILES | CCCCCCCOC(=O)CCCCCBr |
| InChIKey | GZXKJKNFTYOIAK-UHFFFAOYSA-N |
Product Overview
Heptyl 6-bromohexanoate (CAS 959265-07-7), with molecular formula C13H25BrO2 and molecular weight 292.10 g/mol. IUPAC: heptyl 6-bromohexanoate.
Chemical Property Profile of Heptyl 6-bromohexanoate
Property Insights of Heptyl 6-bromohexanoate
The XLogP value of 4.8 indicates that Heptyl 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, Heptyl 6-bromohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 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 Heptyl 6-bromohexanoate?
The CAS number of Heptyl 6-bromohexanoate is 959265-07-7.
What is the molecular formula of Heptyl 6-bromohexanoate?
The molecular formula of Heptyl 6-bromohexanoate is C13H25BrO2.
What is the molecular weight of Heptyl 6-bromohexanoate?
The molecular weight of Heptyl 6-bromohexanoate is 292.10 g/mol.
Where can I buy Heptyl 6-bromohexanoate?
You can request a quote for Heptyl 6-bromohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 6-bromohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 6-bromohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.