3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
TL;DR: 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone (CAS 24181-12-2) is a chemical compound with molecular formula C28H36N4O4 and molecular weight 492.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Also Known As: Fungisporin, Cyclo(VVFF), RUNGISPORIN, Cyclo(phenylalanylphenylalanylvalylvalyl), 3,6-dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
| Molecular Formula | C28H36N4O4 |
|---|---|
| Molecular Weight | 492.27 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.27365 |
| Heavy Atoms | 36 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 24181-12-2 |
|---|---|
| SMILES | CC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC3=CC=CC=C3)C(C)C |
| InChIKey | OWKLJRMFTXDULF-UHFFFAOYSA-N |
Product Overview
3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone (CAS 24181-12-2), with molecular formula C28H36N4O4 and molecular weight 492.27 g/mol. IUPAC: 3,6-dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone.
Chemical Property Profile of 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Property Insights of 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
The XLogP value of 4.1 indicates that 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone. Following Lipinski's Rule of Five, 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone has 4 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 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone?
The CAS number of 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone is 24181-12-2.
What is the molecular formula of 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone?
The molecular formula of 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone is C28H36N4O4.
What is the molecular weight of 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone?
The molecular weight of 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone is 492.27 g/mol.
Where can I buy 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone?
You can request a quote for 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.