RefChem:1056326
TL;DR: RefChem:1056326 (CAS 1756-03-2) is a chemical compound with molecular formula C18H20ClNOS and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylbut-2-yn-1-ol;hydrochloride
Also Known As: 2-Thiophenemethanol, alpha-phenyl-alpha-(3-(1-pyrrolidinyl)-1-propynyl)-, hydrochloride, 1-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylbut-2-yn-1-ol, 1-Phenyl-4-(pyrrolidin-1-yl)-1-(thiophen-2-yl)but-2-yn-1-ol--hydrogen chloride (1/1), 1-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylbut-2-yn-1-ol hydrochloride, 2-Thiophenemethanol, a-phenyl-a-[3-(1-pyrrolidinyl)-1-propyn-1-yl]-,hydrochloride (1:1)
| Molecular Formula | C18H20ClNOS |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.51 |
| Topological Polar Surface Area | 51.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0954 |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 1756-03-2 |
|---|---|
| SMILES | C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=CS3)O.Cl |
| InChIKey | OJDVDIFMJRASFT-UHFFFAOYSA-N |
Product Overview
RefChem:1056326 (CAS 1756-03-2), with molecular formula C18H20ClNOS and molecular weight 333.10 g/mol. IUPAC: 1-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylbut-2-yn-1-ol;hydrochloride.
Chemical Property Profile of RefChem:1056326
Property Insights of RefChem:1056326
The XLogP value of 3.51 indicates that RefChem:1056326 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:1056326 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056326 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:1056326?
The CAS number of RefChem:1056326 is 1756-03-2.
What is the molecular formula of RefChem:1056326?
The molecular formula of RefChem:1056326 is C18H20ClNOS.
What is the molecular weight of RefChem:1056326?
The molecular weight of RefChem:1056326 is 333.10 g/mol.
Where can I buy RefChem:1056326?
You can request a quote for RefChem:1056326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056326?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.