Dimethyl-n-hexylboronat
TL;DR: Dimethyl-n-hexylboronat (CAS 2344-53-8) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-methylbut-3-yn-2-ol
Also Known As: Dimethyl-n-hexylboronat, 4,4'-benzene-1,4-diylbis(2-methylbut-3-yn-2-ol), 4-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-methylbut-3-yn-2-ol, 3-Butyn-2-ol, 4,4'-(1,4-phenylene)bis[2-methyl-, J3.244.661B
| Molecular Formula | C16H18O2 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | 1.9314 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.13068 |
| Heavy Atoms | 18 |
| Complexity | 466.41574 |
Chemical Identifiers
| CAS Number | 2344-53-8 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(C=C1)C#CC(C)(C)O)O |
Product Overview
Dimethyl-n-hexylboronat (CAS 2344-53-8), with molecular formula C16H18O2 and molecular weight 242.13 g/mol. IUPAC: 4-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-methylbut-3-yn-2-ol.
Chemical Property Profile of Dimethyl-n-hexylboronat
Property Insights of Dimethyl-n-hexylboronat
The XLogP value of 1.9314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl-n-hexylboronat. With a topological polar surface area (TPSA) of 40.46 Ų, Dimethyl-n-hexylboronat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl-n-hexylboronat has 2 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 Dimethyl-n-hexylboronat?
The CAS number of Dimethyl-n-hexylboronat is 2344-53-8.
What is the molecular formula of Dimethyl-n-hexylboronat?
The molecular formula of Dimethyl-n-hexylboronat is C16H18O2.
What is the molecular weight of Dimethyl-n-hexylboronat?
The molecular weight of Dimethyl-n-hexylboronat is 242.13 g/mol.
Where can I buy Dimethyl-n-hexylboronat?
You can request a quote for Dimethyl-n-hexylboronat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl-n-hexylboronat?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl-n-hexylboronat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.