BAS 00583827
TL;DR: BAS 00583827 (CAS 331759-59-2) is a chemical compound with molecular formula C22H16Cl2N2O3S and molecular weight 458.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide
Also Known As: BAS 00583827, 2-{[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-(naphthalen-2-yl)acetamide, 2-{[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-naphthalen-2-ylacetamide, 2-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide, 2-((1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)-N-(naphthalen-2-yl)acetamide
| Molecular Formula | C22H16Cl2N2O3S |
|---|---|
| Molecular Weight | 458.03 g/mol |
| LogP | 5.1504 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.02588 |
| Heavy Atoms | 30 |
| Complexity | 1168.0828 |
Chemical Identifiers
| CAS Number | 331759-59-2 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)SCC(=O)NC3=CC4=CC=CC=C4C=C3 |
Product Overview
BAS 00583827 (CAS 331759-59-2), with molecular formula C22H16Cl2N2O3S and molecular weight 458.03 g/mol. IUPAC: 2-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide.
Chemical Property Profile of BAS 00583827
Property Insights of BAS 00583827
The XLogP value of 5.1504 indicates that BAS 00583827 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00583827. Following Lipinski's Rule of Five, BAS 00583827 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00583827?
The CAS number of BAS 00583827 is 331759-59-2.
What is the molecular formula of BAS 00583827?
The molecular formula of BAS 00583827 is C22H16Cl2N2O3S.
What is the molecular weight of BAS 00583827?
The molecular weight of BAS 00583827 is 458.03 g/mol.
Where can I buy BAS 00583827?
You can request a quote for BAS 00583827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00583827?
Yes, KEHONG BIO provides custom synthesis services for BAS 00583827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.