CAS 476642-31-6 - C22H19N3O3S2
TL;DR: CAS 476642-31-6 - C22H19N3O3S2 (CAS 476642-31-6) is a chemical compound with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]-N,N-bis(prop-2-enyl)benzenesulfonamide
Also Known As: 4-{2-cyano-2-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetyl}-N,N-bis(prop-2-en-1-yl)benzene-1-sulfonamide
| Molecular Formula | C22H19N3O3S2 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 4.60888 |
| Topological Polar Surface Area | 94.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.0868 |
| Heavy Atoms | 30 |
| Complexity | 1223.9501 |
Chemical Identifiers
| CAS Number | 476642-31-6 |
|---|---|
| SMILES | C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)C(=C(C#N)C2=NC3=CC=CC=C3S2)O |
Product Overview
CAS 476642-31-6 - C22H19N3O3S2 (CAS 476642-31-6), with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol. IUPAC: 4-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-hydroxyethenyl]-N,N-bis(prop-2-enyl)benzenesulfonamide.
Chemical Property Profile of CAS 476642-31-6 - C22H19N3O3S2
Property Insights of CAS 476642-31-6 - C22H19N3O3S2
The XLogP value of 4.60888 indicates that CAS 476642-31-6 - C22H19N3O3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.29 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 476642-31-6 - C22H19N3O3S2. Following Lipinski's Rule of Five, CAS 476642-31-6 - C22H19N3O3S2 has 1 hydrogen bond donor(s) and 6 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 CAS 476642-31-6 - C22H19N3O3S2?
The CAS number of CAS 476642-31-6 - C22H19N3O3S2 is 476642-31-6.
What is the molecular formula of CAS 476642-31-6 - C22H19N3O3S2?
The molecular formula of CAS 476642-31-6 - C22H19N3O3S2 is C22H19N3O3S2.
What is the molecular weight of CAS 476642-31-6 - C22H19N3O3S2?
The molecular weight of CAS 476642-31-6 - C22H19N3O3S2 is 437.09 g/mol.
Where can I buy CAS 476642-31-6 - C22H19N3O3S2?
You can request a quote for CAS 476642-31-6 - C22H19N3O3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 476642-31-6 - C22H19N3O3S2?
Yes, KEHONG BIO provides custom synthesis services for CAS 476642-31-6 - C22H19N3O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.