Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride
TL;DR: Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride (CAS 16527-53-0) is a chemical compound with molecular formula C13H22ClNO and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)-2-methylbutan-2-yl]phenol;hydrochloride
Also Known As: 3-(m-Hydroxyphenyl)-N,N,3-dimethylbutylamine hydrochloride, Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride, 3-(1,1-Dimethyl-3-(dimethylamino)propyl)phenol hydrochloride, Butylamine, 3-(m-hydroxyphenyl)-N,N,3-trimethyl-, hydrochloride, 3-[4-(dimethylamino)-2-methylbutan-2-yl]phenol hydrochloride
| Molecular Formula | C13H22ClNO |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 3.0433 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.13899 |
| Heavy Atoms | 16 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 16527-53-0 |
|---|---|
| SMILES | CC(C)(CCN(C)C)C1=CC(=CC=C1)O.Cl |
| InChIKey | IQWSXMPTSJCQFX-UHFFFAOYSA-N |
Product Overview
Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride (CAS 16527-53-0), with molecular formula C13H22ClNO and molecular weight 243.14 g/mol. IUPAC: 3-[4-(dimethylamino)-2-methylbutan-2-yl]phenol;hydrochloride.
Chemical Property Profile of Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride
Property Insights of Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride
The XLogP value of 3.0433 indicates that Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride has 2 hydrogen bond donor(s) and 2 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 Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride?
The CAS number of Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride is 16527-53-0.
What is the molecular formula of Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride?
The molecular formula of Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride is C13H22ClNO.
What is the molecular weight of Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride?
The molecular weight of Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride is 243.14 g/mol.
Where can I buy Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride?
You can request a quote for Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.