Dinitro-2,1,3-benzothiadiazole-4,6-diamine
TL;DR: Dinitro-2,1,3-benzothiadiazole-4,6-diamine (CAS 19951-29-2) is a chemical compound with molecular formula C6H4N6O4S and molecular weight 256.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dinitro-2,1,3-benzothiadiazole-5,7-diamine
Also Known As: BAS 01228888, 5,7-Dinitro-benzo[1,2,5]thiadiazole-4,6-diamine, 4,6-dinitro-2,1,3-benzothiadiazole-5,7-diamine, DINITRO-2,1,3-BENZOTHIADIAZOLE-4,6-DIAMINE
| Molecular Formula | C6H4N6O4S |
|---|---|
| Molecular Weight | 256.00 g/mol |
| LogP | 0.6721 |
| Topological Polar Surface Area | 164.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.00146 |
| Heavy Atoms | 17 |
| Complexity | 651.48334 |
Chemical Identifiers
| CAS Number | 19951-29-2 |
|---|---|
| SMILES | C1(=C(C2=NSN=C2C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N |
Product Overview
Dinitro-2,1,3-benzothiadiazole-4,6-diamine (CAS 19951-29-2), with molecular formula C6H4N6O4S and molecular weight 256.00 g/mol. IUPAC: 4,6-dinitro-2,1,3-benzothiadiazole-5,7-diamine.
Chemical Property Profile of Dinitro-2,1,3-benzothiadiazole-4,6-diamine
Property Insights of Dinitro-2,1,3-benzothiadiazole-4,6-diamine
The XLogP value of 0.6721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinitro-2,1,3-benzothiadiazole-4,6-diamine. The TPSA of 164.1 Ų indicates high polarity, suggesting Dinitro-2,1,3-benzothiadiazole-4,6-diamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dinitro-2,1,3-benzothiadiazole-4,6-diamine has 2 hydrogen bond donor(s) and 9 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 Dinitro-2,1,3-benzothiadiazole-4,6-diamine?
The CAS number of Dinitro-2,1,3-benzothiadiazole-4,6-diamine is 19951-29-2.
What is the molecular formula of Dinitro-2,1,3-benzothiadiazole-4,6-diamine?
The molecular formula of Dinitro-2,1,3-benzothiadiazole-4,6-diamine is C6H4N6O4S.
What is the molecular weight of Dinitro-2,1,3-benzothiadiazole-4,6-diamine?
The molecular weight of Dinitro-2,1,3-benzothiadiazole-4,6-diamine is 256.00 g/mol.
Where can I buy Dinitro-2,1,3-benzothiadiazole-4,6-diamine?
You can request a quote for Dinitro-2,1,3-benzothiadiazole-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitro-2,1,3-benzothiadiazole-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for Dinitro-2,1,3-benzothiadiazole-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.