methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany
TL;DR: methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany (CAS 54255-29-7) is a chemical compound with molecular formula C19H18N2O3S3 and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
Also Known As: methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany, Methyl [(2-aminophenyl)sulfanyl](3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate, methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfanylidene-thiazolidin-5-yl)acetate, methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
| Molecular Formula | C19H18N2O3S3 |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.04794 |
| Heavy Atoms | 27 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 54255-29-7 |
|---|---|
| SMILES | COC(=O)C(C1C(=O)N(C(=S)S1)CC2=CC=CC=C2)SC3=CC=CC=C3N |
| InChIKey | LWPUVMFRRQVRAK-UHFFFAOYSA-N |
Product Overview
methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany (CAS 54255-29-7), with molecular formula C19H18N2O3S3 and molecular weight 418.05 g/mol. IUPAC: methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate.
Chemical Property Profile of methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany
Property Insights of methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany
The XLogP value of 3.9 indicates that methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany has 1 hydrogen bond donor(s) and 7 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 methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany?
The CAS number of methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany is 54255-29-7.
What is the molecular formula of methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany?
The molecular formula of methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany is C19H18N2O3S3.
What is the molecular weight of methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany?
The molecular weight of methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany is 418.05 g/mol.
Where can I buy methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany?
You can request a quote for methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfany and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.