3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline)
TL;DR: 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline) (CAS 65992-10-1) is a chemical compound with molecular formula C14H6N10O13 and molecular weight 522.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-oxadiazol-2-yl]-2,4,6-trinitroaniline
Also Known As: 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline), 2,4,6,2',4',6'-hexanitro-3,3'-[1,3,4]oxadiazole-2,5-diyl-bis, Benzenamine, 3,3-(1,3,4-oxadiazole-2,5-diyl)bis[2,4,6-trinitro-
| Molecular Formula | C14H6N10O13 |
|---|---|
| Molecular Weight | 522.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 366.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 2 |
| Exact Mass | 522.0116 |
| Heavy Atoms | 37 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 65992-10-1 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C2=NN=C(O2)C3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DKHDARWXTIFFRH-UHFFFAOYSA-N |
Product Overview
3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline) (CAS 65992-10-1), with molecular formula C14H6N10O13 and molecular weight 522.01 g/mol. IUPAC: 3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-oxadiazol-2-yl]-2,4,6-trinitroaniline.
Chemical Property Profile of 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline)
Property Insights of 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline). The TPSA of 366.0 Ų indicates high polarity, suggesting 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline) has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline)?
The CAS number of 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline) is 65992-10-1.
What is the molecular formula of 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline)?
The molecular formula of 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline) is C14H6N10O13.
What is the molecular weight of 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline)?
The molecular weight of 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline) is 522.01 g/mol.
Where can I buy 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline)?
You can request a quote for 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(1,3,4-Oxadiazole-2,5-diyl)bis(2,4,6-trinitroaniline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.