2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile (CAS 354554-25-9) is a chemical compound with molecular formula C14H9ClN4O2S and molecular weight 332.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: BAS 07417181, AM-807/13103042, 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-chloro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))-4H-thiin-3,5-dicarb onitrile, 2,6-Diamino-4-(4-chloro-benzo[1,3]dioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
| Molecular Formula | C14H9ClN4O2S |
|---|---|
| Molecular Weight | 332.01 g/mol |
| LogP | 2.28686 |
| Topological Polar Surface Area | 118.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.0135 |
| Heavy Atoms | 22 |
| Complexity | 783.35736 |
Chemical Identifiers
| CAS Number | 354554-25-9 |
|---|---|
| SMILES | C1OC2=C(O1)C(=C(C=C2)C3C(=C(SC(=C3C#N)N)N)C#N)Cl |
Product Overview
2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile (CAS 354554-25-9), with molecular formula C14H9ClN4O2S and molecular weight 332.01 g/mol. IUPAC: 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 2.28686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile. The TPSA of 118.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile has 2 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 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile is 354554-25-9.
What is the molecular formula of 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile is C14H9ClN4O2S.
What is the molecular weight of 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile is 332.01 g/mol.
Where can I buy 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.