Butidrine hydrochloride
TL;DR: Butidrine hydrochloride (CAS 5803-76-9) is a chemical compound with molecular formula C16H26ClNO and molecular weight 283.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-butan-2-yl]-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride
Also Known As: Butidrine hydrochloride, (S,S)-2-sec-Butylamino-(5,6,7,8-tetrahydro-2-naphthyl)ethanol hydrochloride, 2-Naphthalenemethanol, 5,6,7,8-tetrahydro-alpha-((sec-butylamino)methyl)-, hydrochloride, (S,S)-, [(2S)-butan-2-yl]-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride, 2-Naphthalenemethanol, 5,6,7,8-tetrahydro-.alpha.-[[(1-methylpropyl)amino]methyl]-, hydrochloride, [S-(R*,R*)]-
| Molecular Formula | C16H26ClNO |
|---|---|
| Molecular Weight | 283.17 g/mol |
| LogP | -1.0353 |
| Topological Polar Surface Area | 36.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.1703 |
| Heavy Atoms | 19 |
| Complexity | 394.33536 |
Chemical Identifiers
| CAS Number | 5803-76-9 |
|---|---|
| SMILES | CC[C@H](C)[NH2+]C[C@H](C1=CC2=C(CCCC2)C=C1)O.[Cl-] |
Product Overview
Butidrine hydrochloride (CAS 5803-76-9), with molecular formula C16H26ClNO and molecular weight 283.17 g/mol. IUPAC: [(2S)-butan-2-yl]-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride.
Chemical Property Profile of Butidrine hydrochloride
Property Insights of Butidrine hydrochloride
The XLogP value of -1.0353 indicates that Butidrine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.84 Ų, Butidrine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butidrine hydrochloride has 2 hydrogen bond donor(s) and 1 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 Butidrine hydrochloride?
The CAS number of Butidrine hydrochloride is 5803-76-9.
What is the molecular formula of Butidrine hydrochloride?
The molecular formula of Butidrine hydrochloride is C16H26ClNO.
What is the molecular weight of Butidrine hydrochloride?
The molecular weight of Butidrine hydrochloride is 283.17 g/mol.
Where can I buy Butidrine hydrochloride?
You can request a quote for Butidrine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butidrine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butidrine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.