RefChem:1075557
TL;DR: RefChem:1075557 (CAS 94768-96-4) is a chemical compound with molecular formula C19H16N4O2S2 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(1-methyl-2-oxo-3H-indol-3-yl)methylideneamino]acetamide
Also Known As: Acetic acid, (2-benzothiazolylthio)-, ((2,3-dihydro-1-methyl-2-oxo-1H-indol-3-yl)methylene)hydrazide, ACETIC ACID, (2-BENZOTHIAZOLYLTHIO)-, ((2,3-DIHYDRO-1-METHYL-2-OXO-1H-INDOL-3-YL, RefChem:1075557
| Molecular Formula | C19H16N4O2S2 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 3.2506 |
| Topological Polar Surface Area | 74.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.07147 |
| Heavy Atoms | 27 |
| Complexity | 1013.8755 |
Chemical Identifiers
| CAS Number | 94768-96-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(C1=O)/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3 |
Product Overview
RefChem:1075557 (CAS 94768-96-4), with molecular formula C19H16N4O2S2 and molecular weight 396.07 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(1-methyl-2-oxo-3H-indol-3-yl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:1075557
Property Insights of RefChem:1075557
The XLogP value of 3.2506 indicates that RefChem:1075557 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075557. Following Lipinski's Rule of Five, RefChem:1075557 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 RefChem:1075557?
The CAS number of RefChem:1075557 is 94768-96-4.
What is the molecular formula of RefChem:1075557?
The molecular formula of RefChem:1075557 is C19H16N4O2S2.
What is the molecular weight of RefChem:1075557?
The molecular weight of RefChem:1075557 is 396.07 g/mol.
Where can I buy RefChem:1075557?
You can request a quote for RefChem:1075557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075557?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.