3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile
TL;DR: 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile (CAS 70546-25-7) is a chemical compound with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxochromene-4-carbonitrile
Also Known As: Macrolex Fluorescence Red G, Macrolex(R) Fluorescent Red G, 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile, 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-4-carbonitrile, 2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-(diethylamino)-2-oxo-
| Molecular Formula | C21H17N3O2S |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.10416 |
| Heavy Atoms | 27 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 70546-25-7 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C#N |
| InChIKey | NDKYYKABKLOOAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile (CAS 70546-25-7), with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxochromene-4-carbonitrile.
Chemical Property Profile of 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile
Property Insights of 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile
The XLogP value of 4.3 indicates that 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile. Following Lipinski's Rule of Five, 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile has 0 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 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile?
The CAS number of 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile is 70546-25-7.
What is the molecular formula of 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile?
The molecular formula of 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile is C21H17N3O2S.
What is the molecular weight of 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile?
The molecular weight of 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile is 375.10 g/mol.
Where can I buy 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile?
You can request a quote for 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.