trapoxin
TL;DR: trapoxin (CAS 133155-90-5) is a chemical compound with molecular formula C33H40N4O6 and molecular weight 588.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dibenzyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Also Known As: trapoxin, Trapoxin B, KST-1A1128, (3s,6s,9s,12r)-3,6-dibenzyl-9-[6-[(2s)-oxiran-2-yl]-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone, Cyclo((S)-phenylalanyl-phenylalanyl-(R)-prolyl-2-amino-8-oxo-9,10-epoxydecanoyl)
| Molecular Formula | C33H40N4O6 |
|---|---|
| Molecular Weight | 588.29 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 588.2948 |
| Heavy Atoms | 43 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 133155-90-5 |
|---|---|
| SMILES | C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCCC(=O)C5CO5 |
| InChIKey | LLOKIGWPNVSDGJ-UHFFFAOYSA-N |
Product Overview
trapoxin (CAS 133155-90-5), with molecular formula C33H40N4O6 and molecular weight 588.29 g/mol. IUPAC: 3,6-dibenzyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone.
Chemical Property Profile of trapoxin
Property Insights of trapoxin
The XLogP value of 3.1 indicates that trapoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for trapoxin. Following Lipinski's Rule of Five, trapoxin has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of trapoxin?
The CAS number of trapoxin is 133155-90-5.
What is the molecular formula of trapoxin?
The molecular formula of trapoxin is C33H40N4O6.
What is the molecular weight of trapoxin?
The molecular weight of trapoxin is 588.29 g/mol.
Where can I buy trapoxin?
You can request a quote for trapoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trapoxin?
Yes, KEHONG BIO provides custom synthesis services for trapoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.