5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-
TL;DR: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy- (CAS 115091-90-2) is a chemical compound with molecular formula C22H16N2O4S and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile
Also Known As: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-, 4-(1,3-Benzodioxol-5-yl)-2,9-dimethoxy-5H-(1)benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile, 4-(2H-1,3-Benzodioxol-5-yl)-2,9-dimethoxy-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitrile, 4-(2H-1,3-BENZODIOXOL-5-YL)-2,9-DIMETHOXY-5H-THIOCHROMENO[4,3-B]PYRIDINE-3-CARBONITRILE
| Molecular Formula | C22H16N2O4S |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 4.63888 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.08307 |
| Heavy Atoms | 29 |
| Complexity | 1186.4054 |
Chemical Identifiers
| CAS Number | 115091-90-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SCC3=C(C(=C(N=C32)OC)C#N)C4=CC5=C(C=C4)OCO5 |
Product Overview
5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy- (CAS 115091-90-2), with molecular formula C22H16N2O4S and molecular weight 404.08 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile.
Chemical Property Profile of 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-
Property Insights of 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-
The XLogP value of 4.63888 indicates that 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-. Following Lipinski's Rule of Five, 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy- 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 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-?
The CAS number of 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy- is 115091-90-2.
What is the molecular formula of 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-?
The molecular formula of 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy- is C22H16N2O4S.
What is the molecular weight of 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-?
The molecular weight of 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy- is 404.08 g/mol.
Where can I buy 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-?
You can request a quote for 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.