![But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine structure](/static/products/1278/127876-75-9.webp)
But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine
TL;DR: But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine (CAS 127876-75-9) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine
Also Known As: 1-((2-(Phenylthio)phenyl)methyl)pyrrolidine (Z)-2-butenedioate (1:1)
| Molecular Formula | C21H23NO4S |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 4.1454 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.13477 |
| Heavy Atoms | 27 |
| Complexity | 754.76086 |
Chemical Identifiers
| CAS Number | 127876-75-9 |
|---|---|
| SMILES | C1CCN(C1)CC2=CC=CC=C2SC3=CC=CC=C3.C(=CC(=O)O)C(=O)O |
Product Overview
But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine (CAS 127876-75-9), with molecular formula C21H23NO4S and molecular weight 385.13 g/mol. IUPAC: but-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine.
Chemical Property Profile of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine
Property Insights of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine
The XLogP value of 4.1454 indicates that But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine. Following Lipinski's Rule of Five, But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine has 2 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 But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine?
The CAS number of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine is 127876-75-9.
What is the molecular formula of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine?
The molecular formula of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine is C21H23NO4S.
What is the molecular weight of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine?
The molecular weight of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine is 385.13 g/mol.
Where can I buy But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine?
You can request a quote for But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.