![6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione structure](/static/products/3011/30114-58-0.webp)
6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione
TL;DR: 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione (CAS 30114-58-0) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,12.03,11.04,8.010,13]tridecane-5,7-dione
Also Known As: 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione, 6-Phenyl-4,6,8-triazahexacyclo[7.4.0.02,12.03,11.04,8.010,13]tridecane-5,7-dione, N-Phenyl-9,10-Diazapentacyclo[4.4.0.02,5.03,8.04,7]decane-9,10-dicarboximide
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 0.6481 |
| Topological Polar Surface Area | 48.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 874.6371 |
Chemical Identifiers
| CAS Number | 30114-58-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)N3C4C5C6C4C7C6C5C7N3C2=O |
Product Overview
6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione (CAS 30114-58-0), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: 6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,12.03,11.04,8.010,13]tridecane-5,7-dione.
Chemical Property Profile of 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione
Property Insights of 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione
The XLogP value of 0.6481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione. With a topological polar surface area (TPSA) of 48.93 Ų, 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione has 0 hydrogen bond donor(s) and 2 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 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione?
The CAS number of 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione is 30114-58-0.
What is the molecular formula of 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione?
The molecular formula of 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione is C16H13N3O2.
What is the molecular weight of 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione?
The molecular weight of 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione is 279.10 g/mol.
Where can I buy 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione?
You can request a quote for 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.