![But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine structure](/static/products/1278/127876-77-1.webp)
But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine
TL;DR: But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine (CAS 127876-77-1) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.1297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine
Also Known As: N-(2-(Phenylthio)benzyl)morpholine maleate
Technical Specifications
| Molecular Formula | C21H23NO5S |
| Molecular Weight | 401.1297 g/mol |
| XLogP | 3.3818 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1297 Da |
| Heavy Atoms | 28 |
| Complexity | 393.0 |
| SMILES | C1COCCN1CC2=CC=CC=C2SC3=CC=CC=C3.C(=CC(=O)O)C(=O)O |
| InChIKey | PDJNHKIBWATQHB-UHFFFAOYSA-N |
Chemical Property Profile of But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine
Property Insights of But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine
The XLogP value of 3.3818 indicates that But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine. Following Lipinski's Rule of Five, But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine?
The CAS number of But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine is 127876-77-1.
What is the molecular formula of But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine?
The molecular formula of But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine is C21H23NO5S.
What is the molecular weight of But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine?
The molecular weight of But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine is 401.1297 g/mol.
Where can I buy But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine?
You can request a quote for But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine?
Yes, CoreyChem provides custom synthesis services for But-2-enedioic acid;4-[(2-phenylsulfanylphenyl)methyl]morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.