2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one
TL;DR: 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one (CAS 55429-03-3) is a chemical compound with molecular formula C25H37BO5 and molecular weight 428.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-6-hydroxy-5-(3-methylbutanoyl)-3a,7-bis(3-methylbut-2-enyl)-1,3,2-benzodioxaborol-4-one
Also Known As: 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one, 1,3,2-Benzodioxaborol-4(3aH)-one, 2-butyl-6-hydroxy-3a,7-bis(3-methyl-2-butenyl)-5-(3-methyl-1-oxobutyl)-, 2-Butyl-6-hydroxy-3a,7-bis(3-methyl-2-butenyl)-5-(3-methylbutyryl)-1,3,2-benzodioxaborol-4(3aH)-one, 2-butyl-6-hydroxy-3a,7-bis(3-methylbut-2-en-1-yl)-5-(3-methylbutanoyl)-3a,4-dihydro-2H-1,3,2-benzodioxaborol-4-one, 2-Butyl-6-hydroxy-5-(3-methylbutanoyl)-3a,7-bis(3-methyl-2-butenyl)-1,3,2-benzodioxaborol-4(3ah)-one
| Molecular Formula | C25H37BO5 |
|---|---|
| Molecular Weight | 428.27 g/mol |
| LogP | 6.037 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 428.2734 |
| Heavy Atoms | 31 |
| Complexity | 838.0 |
Chemical Identifiers
| CAS Number | 55429-03-3 |
|---|---|
| SMILES | B1(OC2=C(C(=C(C(=O)C2(O1)CC=C(C)C)C(=O)CC(C)C)O)CC=C(C)C)CCCC |
| InChIKey | BCKQIMTVMSCGNO-UHFFFAOYSA-N |
Product Overview
2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one (CAS 55429-03-3), with molecular formula C25H37BO5 and molecular weight 428.27 g/mol. IUPAC: 2-butyl-6-hydroxy-5-(3-methylbutanoyl)-3a,7-bis(3-methylbut-2-enyl)-1,3,2-benzodioxaborol-4-one.
Chemical Property Profile of 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one
Property Insights of 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one
The XLogP value of 6.037 indicates that 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one. Following Lipinski's Rule of Five, 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one has 1 hydrogen bond donor(s) and 5 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-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one?
The CAS number of 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one is 55429-03-3.
What is the molecular formula of 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one?
The molecular formula of 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one is C25H37BO5.
What is the molecular weight of 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one?
The molecular weight of 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one is 428.27 g/mol.
Where can I buy 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one?
You can request a quote for 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-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-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one?
Yes, KEHONG BIO provides custom synthesis services for 2-butyl-6-hydroxy-3a,7-bis -5-1,3,2-benzodioxaborol-4 -one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.