(2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone
TL;DR: (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone (CAS 101729-82-2) is a chemical compound with molecular formula C18H19NO2S and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzylsulfanylphenyl)-morpholin-4-ylmethanone
Also Known As: 4-[2-(benzylthio)benzoyl]morpholine, (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone, Benzyl 2-(4-morpholinylcarbonyl)phenyl sulfide, morpholin-4-yl 2-(phenylmethylthio)phenyl ketone, Benzyl 2-(4-morpholinylcarbonyl)phenyl sulfide #
| Molecular Formula | C18H19NO2S |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.11365 |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 101729-82-2 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC=CC=C2SCC3=CC=CC=C3 |
| InChIKey | QTLCXGYKTPZNJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone (CAS 101729-82-2), with molecular formula C18H19NO2S and molecular weight 313.11 g/mol. IUPAC: (2-benzylsulfanylphenyl)-morpholin-4-ylmethanone.
Chemical Property Profile of (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone
Property Insights of (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone
The XLogP value of 3.0 indicates that (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone 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-Benzylsulfanylphenyl)-morpholin-4-ylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone has 0 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 (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone?
The CAS number of (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone is 101729-82-2.
What is the molecular formula of (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone?
The molecular formula of (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone is C18H19NO2S.
What is the molecular weight of (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone?
The molecular weight of (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone is 313.11 g/mol.
Where can I buy (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone?
You can request a quote for (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.