RefChem:449046
TL;DR: RefChem:449046 (CAS 330643-76-0) is a chemical compound with molecular formula C22H14N6O2S3 and molecular weight 490.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-cyano-3-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(2-cyanophenyl)acetamide
Also Known As: 2-[(4-CYANO-3-{[2-(2-CYANOANILINO)-2-OXOETHYL]SULFANYL}-5-ISOTHIAZOLYL)SULFANYL]-N-(2-CYANOPHENYL)ACETAMIDE, 2,2'-((4-Cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(2-cyanophenyl)acetamide), 2-((4-Cyano-3-((2-(2-cyanoanilino)-2-oxoethyl)sulfanyl)-5-isothiazolyl)sulfanyl)-N-(2-cyanophenyl)acetamide, 2-(4-cyano-3-{[N-(2-cyanophenyl)carbamoyl]methylthio}isothiazol-5-ylthio)-N-(2 -cyanophenyl)acetamide, 2-[[4-cyano-3-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(2-cyanophenyl)acetamide
| Molecular Formula | C22H14N6O2S3 |
|---|---|
| Molecular Weight | 490.03 g/mol |
| LogP | 4.21974 |
| Topological Polar Surface Area | 142.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.03403 |
| Heavy Atoms | 33 |
| Complexity | 1223.641 |
Chemical Identifiers
| CAS Number | 330643-76-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)CSC2=C(C(=NS2)SCC(=O)NC3=CC=CC=C3C#N)C#N |
Product Overview
RefChem:449046 (CAS 330643-76-0), with molecular formula C22H14N6O2S3 and molecular weight 490.03 g/mol. IUPAC: 2-[[4-cyano-3-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(2-cyanophenyl)acetamide.
Chemical Property Profile of RefChem:449046
Property Insights of RefChem:449046
The XLogP value of 4.21974 indicates that RefChem:449046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.46 Ų indicates high polarity, suggesting RefChem:449046 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:449046 has 2 hydrogen bond donor(s) and 9 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 RefChem:449046?
The CAS number of RefChem:449046 is 330643-76-0.
What is the molecular formula of RefChem:449046?
The molecular formula of RefChem:449046 is C22H14N6O2S3.
What is the molecular weight of RefChem:449046?
The molecular weight of RefChem:449046 is 490.03 g/mol.
Where can I buy RefChem:449046?
You can request a quote for RefChem:449046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449046?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.