tentoxin
TL;DR: tentoxin (CAS 28540-82-1) is a chemical compound with molecular formula C22H30N4O4 and molecular weight 414.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Also Known As: tentoxin, Tentotoxin, Alternaria alternata, Cycloleucyl-N-methylalanylglycyl-N-methyl dehydrophenylalanine, 12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetraazacyclododecane-2,5,8,11-tetrone, 12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
| Molecular Formula | C22H30N4O4 |
|---|---|
| Molecular Weight | 414.23 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.2267 |
| Heavy Atoms | 30 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 28540-82-1 |
|---|---|
| SMILES | CC1C(=O)NC(C(=O)N(C(=CC2=CC=CC=C2)C(=O)NCC(=O)N1C)C)CC(C)C |
| InChIKey | SIIRBDOFKDACOK-UHFFFAOYSA-N |
Product Overview
tentoxin (CAS 28540-82-1), with molecular formula C22H30N4O4 and molecular weight 414.23 g/mol. IUPAC: 12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone.
Chemical Property Profile of tentoxin
Property Insights of tentoxin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tentoxin. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for tentoxin. Following Lipinski's Rule of Five, tentoxin has 2 hydrogen bond donor(s) and 4 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 tentoxin?
The CAS number of tentoxin is 28540-82-1.
What is the molecular formula of tentoxin?
The molecular formula of tentoxin is C22H30N4O4.
What is the molecular weight of tentoxin?
The molecular weight of tentoxin is 414.23 g/mol.
Where can I buy tentoxin?
You can request a quote for tentoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tentoxin?
Yes, KEHONG BIO provides custom synthesis services for tentoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.