2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one
TL;DR: 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one (CAS 31747-99-6) is a chemical compound with molecular formula C18H35BO3 and molecular weight 310.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-5-dodecyl-1,3,2-dioxaborolan-4-one
Also Known As: 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one, .alpha.-Hydroxymyristic acid cyclic butaneboronate, 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one #, Tetradecanoic acid, 2-hydroxy-, monoanhydride with 1-butaneboronic acid, cyclic ester, RefChem:258049
| Molecular Formula | C18H35BO3 |
|---|---|
| Molecular Weight | 310.27 g/mol |
| LogP | 5.5277 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 310.2679 |
| Heavy Atoms | 22 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 31747-99-6 |
|---|---|
| SMILES | B1(OC(C(=O)O1)CCCCCCCCCCCC)CCCC |
| InChIKey | MRKZZSPHSLSBSU-UHFFFAOYSA-N |
Product Overview
2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one (CAS 31747-99-6), with molecular formula C18H35BO3 and molecular weight 310.27 g/mol. IUPAC: 2-butyl-5-dodecyl-1,3,2-dioxaborolan-4-one.
Chemical Property Profile of 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one
Property Insights of 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one
The XLogP value of 5.5277 indicates that 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one?
The CAS number of 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one is 31747-99-6.
What is the molecular formula of 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one?
The molecular formula of 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one is C18H35BO3.
What is the molecular weight of 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one?
The molecular weight of 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one is 310.27 g/mol.
Where can I buy 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one?
You can request a quote for 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-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-5-dodecyl-1,3,2-dioxaborolan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-5-dodecyl-1,3,2-dioxaborolan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.