2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate
TL;DR: 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate (CAS 101329-99-1) is a chemical compound with molecular formula C19H27NO3S and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate
Also Known As: 2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate, Cyclopentanecarbonitrile, 1-[(4-chlorophenyl)thio]-, Cyclopentanecarboxylic acid, 1-[(4-chlorophenyl)thio]-
| Molecular Formula | C19H27NO3S |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 3.357 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.17117 |
| Heavy Atoms | 24 |
| Complexity | 510.603 |
Chemical Identifiers
| CAS Number | 101329-99-1 |
|---|---|
| SMILES | C1CCC(CC1)(C(=O)OCCN2CCOCC2)SC3=CC=CC=C3 |
Product Overview
2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate (CAS 101329-99-1), with molecular formula C19H27NO3S and molecular weight 349.17 g/mol. IUPAC: 2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate.
Chemical Property Profile of 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate
Property Insights of 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate
The XLogP value of 3.357 indicates that 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate has 0 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 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate?
The CAS number of 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate is 101329-99-1.
What is the molecular formula of 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate?
The molecular formula of 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate is C19H27NO3S.
What is the molecular weight of 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate?
The molecular weight of 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate is 349.17 g/mol.
Where can I buy 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate?
You can request a quote for 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.