2-Butyl-1,3,2-dioxaborinan-4-one
TL;DR: 2-Butyl-1,3,2-dioxaborinan-4-one (CAS 33823-94-8) is a chemical compound with molecular formula C7H13BO3 and molecular weight 156.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1,3,2-dioxaborinan-4-one
Also Known As: 2-Butyl-1,3,2-dioxaborinan-4-one, 3-Hydroxypropionic acid cyclic butaneboronate, Hydracrylic acid, monoanhydride with 1-butaneboronic acid, cyclic ester, RefChem:257990
| Molecular Formula | C7H13BO3 |
|---|---|
| Molecular Weight | 156.10 g/mol |
| LogP | 1.2382 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.09578 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 33823-94-8 |
|---|---|
| SMILES | B1(OCCC(=O)O1)CCCC |
| InChIKey | AMTSKISEUIFCKC-UHFFFAOYSA-N |
Product Overview
2-Butyl-1,3,2-dioxaborinan-4-one (CAS 33823-94-8), with molecular formula C7H13BO3 and molecular weight 156.10 g/mol. IUPAC: 2-butyl-1,3,2-dioxaborinan-4-one.
Chemical Property Profile of 2-Butyl-1,3,2-dioxaborinan-4-one
Property Insights of 2-Butyl-1,3,2-dioxaborinan-4-one
The XLogP value of 1.2382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-1,3,2-dioxaborinan-4-one. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Butyl-1,3,2-dioxaborinan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-1,3,2-dioxaborinan-4-one has 0 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-1,3,2-dioxaborinan-4-one?
The CAS number of 2-Butyl-1,3,2-dioxaborinan-4-one is 33823-94-8.
What is the molecular formula of 2-Butyl-1,3,2-dioxaborinan-4-one?
The molecular formula of 2-Butyl-1,3,2-dioxaborinan-4-one is C7H13BO3.
What is the molecular weight of 2-Butyl-1,3,2-dioxaborinan-4-one?
The molecular weight of 2-Butyl-1,3,2-dioxaborinan-4-one is 156.10 g/mol.
Where can I buy 2-Butyl-1,3,2-dioxaborinan-4-one?
You can request a quote for 2-Butyl-1,3,2-dioxaborinan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-1,3,2-dioxaborinan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-1,3,2-dioxaborinan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.