O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)
TL;DR: O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1) (CAS 57554-27-5) is a chemical compound with molecular formula C21H26ClNOS and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(1-ethylpiperidin-1-ium-3-yl) 2,2-diphenylethanethioate chloride
Also Known As: 3-Piperidinol, 1-ethyl-, O-ester with diphenylthioacetate, hydrochloride, ACETIC ACID, DIPHENYLTHIO-, O-ESTER with 1-ETHYL-3-PIPERIDINOL, HYDROCHLORIDE, O-(1-ethylpiperidin-1-ium-3-yl) 2,2-diphenylethanethioate chloride, O-(1-Ethylpiperidin-1-ium-3-yl)2,2-diphenylethanethioate chloride, O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)
| Molecular Formula | C21H26ClNOS |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 0.23 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.14236 |
| Heavy Atoms | 25 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 57554-27-5 |
|---|---|
| SMILES | CC[NH+]1CCCC(C1)OC(=S)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | FFWRMEZJTTZGIW-UHFFFAOYSA-N |
Product Overview
O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1) (CAS 57554-27-5), with molecular formula C21H26ClNOS and molecular weight 375.14 g/mol. IUPAC: O-(1-ethylpiperidin-1-ium-3-yl) 2,2-diphenylethanethioate chloride.
Chemical Property Profile of O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)
Property Insights of O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)
The XLogP value of 0.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 45.8 Ų, O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1) has 1 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 O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)?
The CAS number of O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1) is 57554-27-5.
What is the molecular formula of O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)?
The molecular formula of O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1) is C21H26ClNOS.
What is the molecular weight of O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)?
The molecular weight of O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1) is 375.14 g/mol.
Where can I buy O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)?
You can request a quote for O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.