1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione
TL;DR: 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione (CAS 780823-08-7) is a chemical compound with molecular formula C23H18N2O3S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(3-hydroxyanilino)-4-phenylsulfanylpyrrole-2,5-dione
Also Known As: 1-benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione, 1-benzyl-3-(3-hydroxyanilino)-4-phenylsulfanylpyrrole-2,5-dione, 1-Benzyl-3-((3-hydroxyphenyl)amino)-4-(phenylthio)-1H-pyrrole-2,5-dione
| Molecular Formula | C23H18N2O3S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 4.377 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.10382 |
| Heavy Atoms | 29 |
| Complexity | 1081.5466 |
Chemical Identifiers
| CAS Number | 780823-08-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC(=CC=C4)O |
Product Overview
1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione (CAS 780823-08-7), with molecular formula C23H18N2O3S and molecular weight 402.10 g/mol. IUPAC: 1-benzyl-3-(3-hydroxyanilino)-4-phenylsulfanylpyrrole-2,5-dione.
Chemical Property Profile of 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione
Property Insights of 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione
The XLogP value of 4.377 indicates that 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione. Following Lipinski's Rule of Five, 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione has 2 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 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione?
The CAS number of 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione is 780823-08-7.
What is the molecular formula of 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione?
The molecular formula of 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione is C23H18N2O3S.
What is the molecular weight of 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione?
The molecular weight of 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione is 402.10 g/mol.
Where can I buy 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione?
You can request a quote for 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.