![4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane structure](/static/products/328/328068-49-1.png)
4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
TL;DR: 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane (CAS 328068-49-1) is a chemical compound with molecular formula C23H30N4O6S2 and molecular weight 522.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
Also Known As: 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane, 6-nitro-4,8-bis(tosylmethyl)-1,4,8-triazabicyclo[4.3.1]decane, 4,8-bis{[(4-methylphenyl)sulfonyl]methyl}-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
| Molecular Formula | C23H30N4O6S2 |
|---|---|
| Molecular Weight | 522.16 g/mol |
| LogP | 1.37224 |
| Topological Polar Surface Area | 121.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1607 |
| Heavy Atoms | 35 |
| Complexity | 1221.0267 |
Chemical Identifiers
| CAS Number | 328068-49-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CN2CCN3CC(C2)(CN(C3)CS(=O)(=O)C4=CC=C(C=C4)C)[N+](=O)[O-] |
Product Overview
4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane (CAS 328068-49-1), with molecular formula C23H30N4O6S2 and molecular weight 522.16 g/mol. IUPAC: 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane.
Chemical Property Profile of 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
Property Insights of 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
The XLogP value of 1.37224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane. The TPSA of 121.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane. Following Lipinski's Rule of Five, 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane?
The CAS number of 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane is 328068-49-1.
What is the molecular formula of 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane?
The molecular formula of 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane is C23H30N4O6S2.
What is the molecular weight of 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane?
The molecular weight of 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane is 522.16 g/mol.
Where can I buy 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane?
You can request a quote for 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[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 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane?
Yes, KEHONG BIO provides custom synthesis services for 4,8-bis[(4-methylphenyl)sulfonylmethyl]-6-nitro-1,4,8-triazabicyclo[4.3.1]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.