RefChem:1064880
TL;DR: RefChem:1064880 (CAS 965-75-3) is a chemical compound with molecular formula C18H22ClNOS and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-1-phenyl-1-thiophen-2-ylbut-2-yn-1-ol;hydrochloride
Also Known As: 2-Thiophenemethanol, alpha-(3-(diethylamino)-1-propynyl)-alpha-phenyl-, hydrochloride, alpha-(3-Diethylamino)-1-propynyl)-alpha-phenyl-2-thiophenemethanol hydrochloride, 4-(diethylamino)-1-phenyl-1-(thiophen-2-yl)but-2-yn-1-ol hydrochloride(1:1), 4-(diethylamino)-1-phenyl-1-thiophen-2-ylbut-2-yn-1-ol hydrochloride, 4-(Diethylamino)-1-phenyl-1-(thiophen-2-yl)but-2-yn-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C18H22ClNOS |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 3.75 |
| Topological Polar Surface Area | 51.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.11105 |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 965-75-3 |
|---|---|
| SMILES | CCN(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CS2)O.Cl |
| InChIKey | KUXBZWPBRXAWHS-UHFFFAOYSA-N |
Product Overview
RefChem:1064880 (CAS 965-75-3), with molecular formula C18H22ClNOS and molecular weight 335.11 g/mol. IUPAC: 4-(diethylamino)-1-phenyl-1-thiophen-2-ylbut-2-yn-1-ol;hydrochloride.
Chemical Property Profile of RefChem:1064880
Property Insights of RefChem:1064880
The XLogP value of 3.75 indicates that RefChem:1064880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.7 Ų, RefChem:1064880 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1064880 has 2 hydrogen bond donor(s) and 3 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 RefChem:1064880?
The CAS number of RefChem:1064880 is 965-75-3.
What is the molecular formula of RefChem:1064880?
The molecular formula of RefChem:1064880 is C18H22ClNOS.
What is the molecular weight of RefChem:1064880?
The molecular weight of RefChem:1064880 is 335.11 g/mol.
Where can I buy RefChem:1064880?
You can request a quote for RefChem:1064880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064880?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.