1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone
TL;DR: 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone (CAS 7239-77-2) is a chemical compound with molecular formula C40H56N4O12 and molecular weight 784.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,14,27,30,35,38,45,48-octaoxa-1,8,17,24-tetrazapentacyclo[22.8.8.88,17.23,6.219,22]dopentaconta-3(52),4,6(51),19,21,41-hexaene-2,7,18,23-tetrone
Also Known As: 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone
| Molecular Formula | C40H56N4O12 |
|---|---|
| Molecular Weight | 784.39 g/mol |
| LogP | 1.3292 |
| Topological Polar Surface Area | 155.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 0 |
| Exact Mass | 784.38947 |
| Heavy Atoms | 56 |
| Complexity | 1233.676 |
Chemical Identifiers
| CAS Number | 7239-77-2 |
|---|---|
| SMILES | C1COCCOCCN2CCOCCOCCN1C(=O)C3=CC=C(C=C3)C(=O)N4CCOCCOCCN(CCOCCOCC4)C(=O)C5=CC=C(C2=O)C=C5 |
Product Overview
1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone (CAS 7239-77-2), with molecular formula C40H56N4O12 and molecular weight 784.39 g/mol. IUPAC: 11,14,27,30,35,38,45,48-octaoxa-1,8,17,24-tetrazapentacyclo[22.8.8.88,17.23,6.219,22]dopentaconta-3(52),4,6(51),19,21,41-hexaene-2,7,18,23-tetrone.
Chemical Property Profile of 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone
Property Insights of 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone
The XLogP value of 1.3292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone. The TPSA of 155.08 Ų indicates high polarity, suggesting 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone?
The CAS number of 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone is 7239-77-2.
What is the molecular formula of 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone?
The molecular formula of 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone is C40H56N4O12.
What is the molecular weight of 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone?
The molecular weight of 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone is 784.39 g/mol.
Where can I buy 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone?
You can request a quote for 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 1~4~,1~7~,1~13~,1~16~,5~4~,5~7~,5~13~,5~16~-Octaoxa-1~1~,1~10~,5~1~,5~10~-tetraaza-1,5(1,10)-dicyclooctadecana-3,7(1,4)-dibenzenacyclooctaphane-2,4,6,8-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.