2-Butyl-1,3,6,2-dioxazaborocane
TL;DR: 2-Butyl-1,3,6,2-dioxazaborocane (CAS 92527-13-4) is a chemical compound with molecular formula C8H18BNO2 and molecular weight 171.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1,3,6,2-dioxazaborocane
Also Known As: 2-butyl-1,3,6,2-dioxazaborocane, 2-(But-1-yl)-tetrahydro-4-H-1,3,6,2-dioxazaborocine, 2-butyl-[1,3,6,2]dioxazaborocane, 2-Butyl-1,3-dioxa-6-aza-2-boracyclooctane, J1.166.398B
| Molecular Formula | C8H18BNO2 |
|---|---|
| Molecular Weight | 171.14 g/mol |
| LogP | 0.9111 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.14307 |
| Heavy Atoms | 12 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 92527-13-4 |
|---|---|
| SMILES | B1(OCCNCCO1)CCCC |
| InChIKey | MBGBWTARQCUNEI-UHFFFAOYSA-N |
Product Overview
2-Butyl-1,3,6,2-dioxazaborocane (CAS 92527-13-4), with molecular formula C8H18BNO2 and molecular weight 171.14 g/mol. IUPAC: 2-butyl-1,3,6,2-dioxazaborocane.
Chemical Property Profile of 2-Butyl-1,3,6,2-dioxazaborocane
Property Insights of 2-Butyl-1,3,6,2-dioxazaborocane
The XLogP value of 0.9111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-1,3,6,2-dioxazaborocane. With a topological polar surface area (TPSA) of 30.5 Ų, 2-Butyl-1,3,6,2-dioxazaborocane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-1,3,6,2-dioxazaborocane has 1 hydrogen bond donor(s) and 3 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-Butyl-1,3,6,2-dioxazaborocane?
The CAS number of 2-Butyl-1,3,6,2-dioxazaborocane is 92527-13-4.
What is the molecular formula of 2-Butyl-1,3,6,2-dioxazaborocane?
The molecular formula of 2-Butyl-1,3,6,2-dioxazaborocane is C8H18BNO2.
What is the molecular weight of 2-Butyl-1,3,6,2-dioxazaborocane?
The molecular weight of 2-Butyl-1,3,6,2-dioxazaborocane is 171.14 g/mol.
Where can I buy 2-Butyl-1,3,6,2-dioxazaborocane?
You can request a quote for 2-Butyl-1,3,6,2-dioxazaborocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-1,3,6,2-dioxazaborocane?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-1,3,6,2-dioxazaborocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.