2,3-Dibromopropyl hexanoate
TL;DR: 2,3-Dibromopropyl hexanoate (CAS 104199-19-1) is a chemical compound with molecular formula C9H16Br2O2 and molecular weight 313.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromopropyl hexanoate
Also Known As: 2,3-dibromopropyl hexanoate, Hexanoic acid, 2,3-dibromopropyl ester
| Molecular Formula | C9H16Br2O2 |
|---|---|
| Molecular Weight | 313.95 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.9517 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 104199-19-1 |
|---|---|
| SMILES | CCCCCC(=O)OCC(CBr)Br |
| InChIKey | MHCMWLLEMJCJCZ-UHFFFAOYSA-N |
Product Overview
2,3-Dibromopropyl hexanoate (CAS 104199-19-1), with molecular formula C9H16Br2O2 and molecular weight 313.95 g/mol. IUPAC: 2,3-dibromopropyl hexanoate.
Chemical Property Profile of 2,3-Dibromopropyl hexanoate
Property Insights of 2,3-Dibromopropyl hexanoate
The XLogP value of 3.6 indicates that 2,3-Dibromopropyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3-Dibromopropyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromopropyl hexanoate 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 2,3-Dibromopropyl hexanoate?
The CAS number of 2,3-Dibromopropyl hexanoate is 104199-19-1.
What is the molecular formula of 2,3-Dibromopropyl hexanoate?
The molecular formula of 2,3-Dibromopropyl hexanoate is C9H16Br2O2.
What is the molecular weight of 2,3-Dibromopropyl hexanoate?
The molecular weight of 2,3-Dibromopropyl hexanoate is 313.95 g/mol.
Where can I buy 2,3-Dibromopropyl hexanoate?
You can request a quote for 2,3-Dibromopropyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromopropyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromopropyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.