5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate
TL;DR: 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate (CAS 29585-45-3) is a chemical compound with molecular formula C6H6N4O12 and molecular weight 326.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5,6-trinitrooxycyclohex-3-en-1-yl) nitrate
Also Known As: Conduritol E tetranitro, Cyclohex-5-ene-1,2,3,4-tetrayl tetranitrate, (2,5,6-trinitrooxycyclohex-3-en-1-yl) nitrate, 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate, 5-Cyclohexene-(1.alpha.,2.beta.,3.beta.,4.alpha.)-1,2,3,4-tetrol tetranitrate
| Molecular Formula | C6H6N4O12 |
|---|---|
| Molecular Weight | 326.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.99823 |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 29585-45-3 |
|---|---|
| SMILES | C1=CC(C(C(C1O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | DNYALAHABLRCGI-UHFFFAOYSA-N |
Product Overview
5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate (CAS 29585-45-3), with molecular formula C6H6N4O12 and molecular weight 326.00 g/mol. IUPAC: (2,5,6-trinitrooxycyclohex-3-en-1-yl) nitrate.
Chemical Property Profile of 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate
Property Insights of 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate. The TPSA of 220.0 Ų indicates high polarity, suggesting 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate?
The CAS number of 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate is 29585-45-3.
What is the molecular formula of 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate?
The molecular formula of 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate is C6H6N4O12.
What is the molecular weight of 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate?
The molecular weight of 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate is 326.00 g/mol.
Where can I buy 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate?
You can request a quote for 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyclohexene-(1alpha,2beta,3beta,4alpha)-1,2,3,4-tetrol tetranitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.