2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)
TL;DR: 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) (CAS 4060-50-8) is a chemical compound with molecular formula C15H22ClNO2S and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylethyl 2-phenylsulfanylacetate;hydrochloride
Also Known As: Benzyl L-tryptophanate monohydrochloride, 2-(1-Piperidinyl)ethyl (phenylthio)acetate hydrochloride, Acetic acid, (phenylthio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride, 2-(piperidin-1-yl)ethyl(phenylsulfanyl)acetate hydrochloride(1:1), 2-piperidin-1-ylethyl 2-phenylsulfanylacetate hydrochloride
| Molecular Formula | C15H22ClNO2S |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 3.2296 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.106 |
| Heavy Atoms | 20 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 4060-50-8 |
|---|---|
| SMILES | C1CCN(CC1)CCOC(=O)CSC2=CC=CC=C2.Cl |
| InChIKey | YRCBBJZIXAAOBQ-UHFFFAOYSA-N |
Product Overview
2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) (CAS 4060-50-8), with molecular formula C15H22ClNO2S and molecular weight 315.11 g/mol. IUPAC: 2-piperidin-1-ylethyl 2-phenylsulfanylacetate;hydrochloride.
Chemical Property Profile of 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)
Property Insights of 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)
The XLogP value of 3.2296 indicates that 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 4 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 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)?
The CAS number of 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) is 4060-50-8.
What is the molecular formula of 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)?
The molecular formula of 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) is C15H22ClNO2S.
What is the molecular weight of 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)?
The molecular weight of 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) is 315.11 g/mol.
Where can I buy 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)?
You can request a quote for 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--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 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Piperidin-1-yl)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.