2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo-
TL;DR: 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo- (CAS 90146-05-7) is a chemical compound with molecular formula C20H14N2O4S and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-2-oxochromene-4-carbonitrile
Also Known As: 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo-, 3-(6-Ethoxybenzothiazol-2-yl)-7-methoxy-2-oxo-2H-1-benzopyran-4-carbonitrile, 3-7-methoxy-2-oxo-2h-1-benzopyran-4-carbonitrile, 3- -7-methoxy-2-oxo-2H-1-benzopyran-4-carbonitrile, 3-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-2-oxo-2H-chromene-4-carbonitrile
| Molecular Formula | C20H14N2O4S |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0674 |
| Heavy Atoms | 27 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 90146-05-7 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)C3=C(C4=C(C=C(C=C4)OC)OC3=O)C#N |
| InChIKey | RLIOSGKNGRNYPS-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo- (CAS 90146-05-7), with molecular formula C20H14N2O4S and molecular weight 378.07 g/mol. IUPAC: 3-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-2-oxochromene-4-carbonitrile.
Chemical Property Profile of 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo-
Property Insights of 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo-
The XLogP value of 3.8 indicates that 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo- has 0 hydrogen bond donor(s) and 7 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 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo-?
The CAS number of 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo- is 90146-05-7.
What is the molecular formula of 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo-?
The molecular formula of 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo- is C20H14N2O4S.
What is the molecular weight of 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo-?
The molecular weight of 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo- is 378.07 g/mol.
Where can I buy 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo-?
You can request a quote for 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-4-carbonitrile, 3-(6-ethoxy-2-benzothiazolyl)-7-methoxy-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.