![7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide structure](/static/products/132/132402-02-9.png)
7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide
TL;DR: 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide (CAS 132402-02-9) is a chemical compound with molecular formula C20H23N5O2S and molecular weight 397.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide
Also Known As: BAS 00334628, 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide, (1R,5S)-7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide
| Molecular Formula | C20H23N5O2S |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | 2.4473 |
| Topological Polar Surface Area | 64.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.15726 |
| Heavy Atoms | 28 |
| Complexity | 850.1893 |
Chemical Identifiers
| CAS Number | 132402-02-9 |
|---|---|
| SMILES | C1C2(CN(CN1CN(C2)C(=S)NC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide (CAS 132402-02-9), with molecular formula C20H23N5O2S and molecular weight 397.16 g/mol. IUPAC: 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide.
Chemical Property Profile of 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide
Property Insights of 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide
The XLogP value of 2.4473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide. The TPSA of 64.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide. Following Lipinski's Rule of Five, 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide has 1 hydrogen bond donor(s) and 5 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 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide?
The CAS number of 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide is 132402-02-9.
What is the molecular formula of 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide?
The molecular formula of 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide is C20H23N5O2S.
What is the molecular weight of 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide?
The molecular weight of 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide is 397.16 g/mol.
Where can I buy 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide?
You can request a quote for 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-5-nitro-N-phenyl-1,3,7-triazabicyclo[3.3.1]nonane-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.