Ethanediol, hexylboronate
TL;DR: Ethanediol, hexylboronate (CAS 88686-82-2) is a chemical compound with molecular formula C8H17BS2 and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexyl-1,3,2-dithiaborolane
Also Known As: Ethanediol, hexylboronate, 2-hexyl-1,3,2-dithiaborolane, 1,3,2-Dithiaborolane, 2-hexyl-, J2.050.733K, RefChem:340118
| Molecular Formula | C8H17BS2 |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 3.5349 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.08647 |
| Heavy Atoms | 11 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 88686-82-2 |
|---|---|
| SMILES | B1(SCCS1)CCCCCC |
| InChIKey | ORLRWYSMQRMPIM-UHFFFAOYSA-N |
Product Overview
Ethanediol, hexylboronate (CAS 88686-82-2), with molecular formula C8H17BS2 and molecular weight 188.09 g/mol. IUPAC: 2-hexyl-1,3,2-dithiaborolane.
Chemical Property Profile of Ethanediol, hexylboronate
Property Insights of Ethanediol, hexylboronate
The XLogP value of 3.5349 indicates that Ethanediol, hexylboronate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Ethanediol, hexylboronate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanediol, hexylboronate 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 Ethanediol, hexylboronate?
The CAS number of Ethanediol, hexylboronate is 88686-82-2.
What is the molecular formula of Ethanediol, hexylboronate?
The molecular formula of Ethanediol, hexylboronate is C8H17BS2.
What is the molecular weight of Ethanediol, hexylboronate?
The molecular weight of Ethanediol, hexylboronate is 188.09 g/mol.
Where can I buy Ethanediol, hexylboronate?
You can request a quote for Ethanediol, hexylboronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanediol, hexylboronate?
Yes, KEHONG BIO provides custom synthesis services for Ethanediol, hexylboronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.