![3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane structure](/static/products/353/353763-02-7.png)
3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane
TL;DR: 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane (CAS 353763-02-7) is a chemical compound with molecular formula C22H27N3O6S2 and molecular weight 493.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-bis-(4-methylphenyl)sulfonyl-1-nitro-3,8-diazabicyclo[4.3.1]decane
Also Known As: 1-nitro-3,8-ditosyl-3,8-diazabicyclo[4.3.1]decane, 3,8-bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane, 4,8-bis-(4-methylphenyl)sulfonyl-6-nitro-4,8-diazabicyclo[4.3.1]decane
| Molecular Formula | C22H27N3O6S2 |
|---|---|
| Molecular Weight | 493.13 g/mol |
| LogP | 2.42414 |
| Topological Polar Surface Area | 117.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.13412 |
| Heavy Atoms | 33 |
| Complexity | 1186.7144 |
Chemical Identifiers
| CAS Number | 353763-02-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC3CC(C2)(CN(C3)S(=O)(=O)C4=CC=C(C=C4)C)[N+](=O)[O-] |
Product Overview
3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane (CAS 353763-02-7), with molecular formula C22H27N3O6S2 and molecular weight 493.13 g/mol. IUPAC: 3,8-bis-(4-methylphenyl)sulfonyl-1-nitro-3,8-diazabicyclo[4.3.1]decane.
Chemical Property Profile of 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane
Property Insights of 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane
The XLogP value of 2.42414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane. The TPSA of 117.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane. Following Lipinski's Rule of Five, 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane 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 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane?
The CAS number of 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane is 353763-02-7.
What is the molecular formula of 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane?
The molecular formula of 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane is C22H27N3O6S2.
What is the molecular weight of 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane?
The molecular weight of 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane is 493.13 g/mol.
Where can I buy 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane?
You can request a quote for 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Bis[(4-methylphenyl)sulfonyl]-1-nitro-3,8-diazabicyclo[4.3.1]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.