(2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate
TL;DR: (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate (CAS 89325-22-4) is a chemical compound with molecular formula C21H39BO5 and molecular weight 382.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate
Also Known As: 9-Octadecenoic acid (9Z)-, (2-hydroxy-1,3,2-dioxaborolan-4-yl)methyl ester
| Molecular Formula | C21H39BO5 |
|---|---|
| Molecular Weight | 382.29 g/mol |
| LogP | 4.9597 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 382.28906 |
| Heavy Atoms | 27 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 89325-22-4 |
|---|---|
| SMILES | B1(OCC(O1)COC(=O)CCCCCCCC=CCCCCCCCC)O |
| InChIKey | XBSXRZOJVFMYRV-UHFFFAOYSA-N |
Product Overview
(2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate (CAS 89325-22-4), with molecular formula C21H39BO5 and molecular weight 382.29 g/mol. IUPAC: (2-hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate.
Chemical Property Profile of (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate
Property Insights of (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate
The XLogP value of 4.9597 indicates that (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate. Following Lipinski's Rule of Five, (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate has 1 hydrogen bond donor(s) and 5 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-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate?
The CAS number of (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate is 89325-22-4.
What is the molecular formula of (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate?
The molecular formula of (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate is C21H39BO5.
What is the molecular weight of (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate?
The molecular weight of (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate is 382.29 g/mol.
Where can I buy (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate?
You can request a quote for (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Hydroxy-1,3,2-dioxaborolan-4-yl)methyl octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.