4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-
TL;DR: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro- (CAS 135521-75-4) is a chemical compound with molecular formula C20H13ClN2O3S and molecular weight 396.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile
Also Known As: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile, 2-Amino-4-(2H-1,3-benzodioxol-5-yl)-9-chloro-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(2H-1,3-benzodioxol-5-yl)-9-chloro-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile, 2-Amino-4-[3,4-(methylenebisoxy)phenyl]-9-chloro-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
| Molecular Formula | C20H13ClN2O3S |
|---|---|
| Molecular Weight | 396.03 g/mol |
| LogP | 4.39338 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.03354 |
| Heavy Atoms | 27 |
| Complexity | 1087.1198 |
Chemical Identifiers
| CAS Number | 135521-75-4 |
|---|---|
| SMILES | C1C2=C(C3=C(S1)C=CC(=C3)Cl)OC(=C(C2C4=CC5=C(C=C4)OCO5)C#N)N |
Product Overview
4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro- (CAS 135521-75-4), with molecular formula C20H13ClN2O3S and molecular weight 396.03 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile.
Chemical Property Profile of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-
Property Insights of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-
The XLogP value of 4.39338 indicates that 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-. Following Lipinski's Rule of Five, 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro- 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 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-?
The CAS number of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro- is 135521-75-4.
What is the molecular formula of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-?
The molecular formula of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro- is C20H13ClN2O3S.
What is the molecular weight of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-?
The molecular weight of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro- is 396.03 g/mol.
Where can I buy 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-?
You can request a quote for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.