2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one
TL;DR: 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one (CAS 55590-80-2) is a chemical compound with molecular formula C13H17BO5 and molecular weight 264.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one
Also Known As: 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one, 1,3,2-Dioxaborolan-4-one, 2-butyl-5-(4-hydroxy-3-methoxyphenyl)-, 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one #
| Molecular Formula | C13H17BO5 |
|---|---|
| Molecular Weight | 264.12 g/mol |
| LogP | 2.3036 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.1169 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 55590-80-2 |
|---|---|
| SMILES | B1(OC(C(=O)O1)C2=CC(=C(C=C2)O)OC)CCCC |
| InChIKey | MITUJKGTDJLOFG-UHFFFAOYSA-N |
Product Overview
2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one (CAS 55590-80-2), with molecular formula C13H17BO5 and molecular weight 264.12 g/mol. IUPAC: 2-butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one.
Chemical Property Profile of 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one
Property Insights of 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one
The XLogP value of 2.3036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one. Following Lipinski's Rule of Five, 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one 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-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one?
The CAS number of 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one is 55590-80-2.
What is the molecular formula of 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one?
The molecular formula of 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one is C13H17BO5.
What is the molecular weight of 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one?
The molecular weight of 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one is 264.12 g/mol.
Where can I buy 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one?
You can request a quote for 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-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-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.