二氨基二硝基乙烯
TL;DR: 二氨基二硝基乙烯 (CAS 145250-81-3) is a chemical compound with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氨基二硝基乙烯
1-methyl-4-(4-methyl-3-nitrophenyl)sulfonyl-2-nitrobenzene
Also Known As: 1,1'-sulfonylbis(4-methyl-3-nitrobenzene), KST-1B0507, Benzene,1,1'-sulfonylbis[4-methyl-3-nitro-, 1-methyl-4-(4-methyl-3-nitrophenyl)sulfonyl-2-nitrobenzene
| Molecular Formula | C14H12N2O6S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.0416 |
| Heavy Atoms | 23 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 145250-81-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XMJOAZKUTPHAQT-UHFFFAOYSA-N |
Product Overview
二氨基二硝基乙烯 (CAS 145250-81-3), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: 1-methyl-4-(4-methyl-3-nitrophenyl)sulfonyl-2-nitrobenzene.
Chemical Property Profile of 二氨基二硝基乙烯
Property Insights of 二氨基二硝基乙烯
The XLogP value of 3.1 indicates that 二氨基二硝基乙烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 二氨基二硝基乙烯. Following Lipinski's Rule of Five, 二氨基二硝基乙烯 has 0 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 二氨基二硝基乙烯?
The CAS number of 二氨基二硝基乙烯 is 145250-81-3.
What is the molecular formula of 二氨基二硝基乙烯?
The molecular formula of 二氨基二硝基乙烯 is C14H12N2O6S.
What is the molecular weight of 二氨基二硝基乙烯?
The molecular weight of 二氨基二硝基乙烯 is 336.04 g/mol.
Where can I buy 二氨基二硝基乙烯?
You can request a quote for 二氨基二硝基乙烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氨基二硝基乙烯?
Yes, KEHONG BIO provides custom synthesis services for 二氨基二硝基乙烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.