Butyletharine
TL;DR: Butyletharine (CAS 5458-27-5) is a chemical compound with molecular formula C14H24ClNO3 and molecular weight 289.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(tert-butylamino)-1-hydroxybutyl]benzene-1,2-diol;hydrochloride
Also Known As: Butyletharine, 1-(3,4-Dihydroxyphenyl)-2-tert-butyl-1-butanol hydrochloride, 1-(3,4-dihydroxyphenyl)-2-tert-butyl-1-butanol.HCl, 4-[2-(tert-butylamino)-1-hydroxybutyl]benzene-1,2-diol hydrochloride(1:1), 4-[2-(tert-butylamino)-1-hydroxybutyl]benzene-1,2-diol hydrochloride
| Molecular Formula | C14H24ClNO3 |
|---|---|
| Molecular Weight | 289.14 g/mol |
| LogP | 2.7197 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.14447 |
| Heavy Atoms | 19 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 5458-27-5 |
|---|---|
| SMILES | CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)(C)C.Cl |
| InChIKey | URELNNSWYQNKPR-UHFFFAOYSA-N |
Product Overview
Butyletharine (CAS 5458-27-5), with molecular formula C14H24ClNO3 and molecular weight 289.14 g/mol. IUPAC: 4-[2-(tert-butylamino)-1-hydroxybutyl]benzene-1,2-diol;hydrochloride.
Chemical Property Profile of Butyletharine
Property Insights of Butyletharine
The XLogP value of 2.7197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyletharine. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyletharine. Following Lipinski's Rule of Five, Butyletharine has 5 hydrogen bond donor(s) and 4 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 Butyletharine?
The CAS number of Butyletharine is 5458-27-5.
What is the molecular formula of Butyletharine?
The molecular formula of Butyletharine is C14H24ClNO3.
What is the molecular weight of Butyletharine?
The molecular weight of Butyletharine is 289.14 g/mol.
Where can I buy Butyletharine?
You can request a quote for Butyletharine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyletharine?
Yes, KEHONG BIO provides custom synthesis services for Butyletharine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.