CAS 476279-86-4 - C18H12N4OS
TL;DR: CAS 476279-86-4 - C18H12N4OS (CAS 476279-86-4) is a chemical compound with molecular formula C18H12N4OS and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
Also Known As: 3-(1,3-benzothiazol-2-yl)-2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxopropanenitrile
| Molecular Formula | C18H12N4OS |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 4.13288 |
| Topological Polar Surface Area | 74.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.07318 |
| Heavy Atoms | 24 |
| Complexity | 1113.7136 |
Chemical Identifiers
| CAS Number | 476279-86-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C(=C(C3=NC4=CC=CC=C4S3)O)C#N |
Product Overview
CAS 476279-86-4 - C18H12N4OS (CAS 476279-86-4), with molecular formula C18H12N4OS and molecular weight 332.07 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of CAS 476279-86-4 - C18H12N4OS
Property Insights of CAS 476279-86-4 - C18H12N4OS
The XLogP value of 4.13288 indicates that CAS 476279-86-4 - C18H12N4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.73 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 476279-86-4 - C18H12N4OS. Following Lipinski's Rule of Five, CAS 476279-86-4 - C18H12N4OS has 1 hydrogen bond donor(s) and 5 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 476279-86-4 - C18H12N4OS?
The CAS number of CAS 476279-86-4 - C18H12N4OS is 476279-86-4.
What is the molecular formula of CAS 476279-86-4 - C18H12N4OS?
The molecular formula of CAS 476279-86-4 - C18H12N4OS is C18H12N4OS.
What is the molecular weight of CAS 476279-86-4 - C18H12N4OS?
The molecular weight of CAS 476279-86-4 - C18H12N4OS is 332.07 g/mol.
Where can I buy CAS 476279-86-4 - C18H12N4OS?
You can request a quote for CAS 476279-86-4 - C18H12N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 476279-86-4 - C18H12N4OS?
Yes, KEHONG BIO provides custom synthesis services for CAS 476279-86-4 - C18H12N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.