CAS 476279-69-3 - C21H20N4O4S
TL;DR: CAS 476279-69-3 - C21H20N4O4S (CAS 476279-69-3) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enenitrile
Also Known As: 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-[4-(morpholine-4-sulfonyl)phenyl]-3-oxopropanenitrile
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 2.54408 |
| Topological Polar Surface Area | 108.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1264.5739 |
Chemical Identifiers
| CAS Number | 476279-69-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C(=C(C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)O)C#N |
Product Overview
CAS 476279-69-3 - C21H20N4O4S (CAS 476279-69-3), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: 3-hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enenitrile.
Chemical Property Profile of CAS 476279-69-3 - C21H20N4O4S
Property Insights of CAS 476279-69-3 - C21H20N4O4S
The XLogP value of 2.54408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 476279-69-3 - C21H20N4O4S. The TPSA of 108.45 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 476279-69-3 - C21H20N4O4S. Following Lipinski's Rule of Five, CAS 476279-69-3 - C21H20N4O4S 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 476279-69-3 - C21H20N4O4S?
The CAS number of CAS 476279-69-3 - C21H20N4O4S is 476279-69-3.
What is the molecular formula of CAS 476279-69-3 - C21H20N4O4S?
The molecular formula of CAS 476279-69-3 - C21H20N4O4S is C21H20N4O4S.
What is the molecular weight of CAS 476279-69-3 - C21H20N4O4S?
The molecular weight of CAS 476279-69-3 - C21H20N4O4S is 424.12 g/mol.
Where can I buy CAS 476279-69-3 - C21H20N4O4S?
You can request a quote for CAS 476279-69-3 - C21H20N4O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 476279-69-3 - C21H20N4O4S?
Yes, KEHONG BIO provides custom synthesis services for CAS 476279-69-3 - C21H20N4O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.