RefChem:1064872
TL;DR: RefChem:1064872 (CAS 3512-32-1) is a chemical compound with molecular formula C20H24ClNO3S and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate;hydrochloride
Also Known As: 4-Diethylamino-2-butynyl phenyl(2-thienyl)glycolate hydrochloride, 2-Thiopheneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-butynyl ester, hydrochloride, alpha-Phenyl-2-thiopheneglycolic acid 4-(diethylamino)-2-butynyl ester hydrochloride, 4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-thiophen-2-y, 4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate hydrochloride
| Molecular Formula | C20H24ClNO3S |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 3.2942 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 393.11655 |
| Heavy Atoms | 26 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 3512-32-1 |
|---|---|
| SMILES | CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O.Cl |
| InChIKey | RXVAOSKEPZWZSF-UHFFFAOYSA-N |
Product Overview
RefChem:1064872 (CAS 3512-32-1), with molecular formula C20H24ClNO3S and molecular weight 393.12 g/mol. IUPAC: 4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate;hydrochloride.
Chemical Property Profile of RefChem:1064872
Property Insights of RefChem:1064872
The XLogP value of 3.2942 indicates that RefChem:1064872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064872. Following Lipinski's Rule of Five, RefChem:1064872 has 2 hydrogen bond donor(s) and 5 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:1064872?
The CAS number of RefChem:1064872 is 3512-32-1.
What is the molecular formula of RefChem:1064872?
The molecular formula of RefChem:1064872 is C20H24ClNO3S.
What is the molecular weight of RefChem:1064872?
The molecular weight of RefChem:1064872 is 393.12 g/mol.
Where can I buy RefChem:1064872?
You can request a quote for RefChem:1064872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064872?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.