RefChem:449048
TL;DR: RefChem:449048 (CAS 400863-98-1) is a chemical compound with molecular formula C28H20N4O2S3 and molecular weight 540.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-cyano-3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-naphthalen-2-ylacetamide
Also Known As: 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]bis(N-2-naphthylacetamide), 2-[(4-CYANO-3-{[2-(2-NAPHTHYLAMINO)-2-OXOETHYL]SULFANYL}-5-ISOTHIAZOLYL)SULFANYL]-N-(2-NAPHTHYL)ACETAMIDE, 2-[[4-cyano-3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-naphthalen-2-ylacetamide, 2-((4-Cyano-3-((2-(2-naphthylamino)-2-oxoethyl)sulfanyl)-5-isothiazolyl)sulfanyl)-N-(2-naphthyl)acetamide, 2-{[4-CYANO-3-({[(NAPHTHALEN-2-YL)CARBAMOYL]METHYL}SULFANYL)-1,2-THIAZOL-5-YL]SULFANYL}-N-(NAPHTHALEN-2-YL)ACETAMIDE
| Molecular Formula | C28H20N4O2S3 |
|---|---|
| Molecular Weight | 540.07 g/mol |
| LogP | 6.78278 |
| Topological Polar Surface Area | 94.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.0748 |
| Heavy Atoms | 37 |
| Complexity | 1543.9642 |
Chemical Identifiers
| CAS Number | 400863-98-1 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)NC(=O)CSC3=C(C(=NS3)SCC(=O)NC4=CC5=CC=CC=C5C=C4)C#N |
Product Overview
RefChem:449048 (CAS 400863-98-1), with molecular formula C28H20N4O2S3 and molecular weight 540.07 g/mol. IUPAC: 2-[[4-cyano-3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-naphthalen-2-ylacetamide.
Chemical Property Profile of RefChem:449048
Property Insights of RefChem:449048
The XLogP value of 6.78278 indicates that RefChem:449048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.88 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449048. Following Lipinski's Rule of Five, RefChem:449048 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449048?
The CAS number of RefChem:449048 is 400863-98-1.
What is the molecular formula of RefChem:449048?
The molecular formula of RefChem:449048 is C28H20N4O2S3.
What is the molecular weight of RefChem:449048?
The molecular weight of RefChem:449048 is 540.07 g/mol.
Where can I buy RefChem:449048?
You can request a quote for RefChem:449048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449048?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.