6,7-(4-Methyl)coumaro-(2.2.2)cryptand
TL;DR: 6,7-(4-Methyl)coumaro-(2.2.2)cryptand (CAS 124804-69-9) is a chemical compound with molecular formula C26H38N2O8 and molecular weight 506.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-4,8,15,21,24,29,32-heptaoxa-1,18-diazatetracyclo[16.8.8.05,14.07,12]tetratriaconta-5(14),6,10,12-tetraen-9-one
Also Known As: 6,7-Mcc, 6,7-(4-Methyl)coumaro-(2.2.2)cryptand, 11-methyl-4,8,15,21,24,29,32-heptaoxa-1,18-diazatetracyclo[16.8.8.05,14.07,12]tetratriaconta-5(14),6,10,12-tetraen-9-one, 21-Methyl-2,3,5,6,8,9,11,12,14,15-decahydro-19H-4,13-(ethanooxyethanooxyethano)pyrano[2,3-s][1,7,10,16,4,13]benzotetraoxadiazacyclooctadecin-19-one, RefChem:103790
| Molecular Formula | C26H38N2O8 |
|---|---|
| Molecular Weight | 506.26 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 506.26282 |
| Heavy Atoms | 36 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 124804-69-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC3=C(C=C12)OCCN4CCOCCOCCN(CCOCCOCC4)CCO3 |
| InChIKey | RWZMXSKVDUGUBJ-UHFFFAOYSA-N |
Product Overview
6,7-(4-Methyl)coumaro-(2.2.2)cryptand (CAS 124804-69-9), with molecular formula C26H38N2O8 and molecular weight 506.26 g/mol. IUPAC: 11-methyl-4,8,15,21,24,29,32-heptaoxa-1,18-diazatetracyclo[16.8.8.05,14.07,12]tetratriaconta-5(14),6,10,12-tetraen-9-one.
Chemical Property Profile of 6,7-(4-Methyl)coumaro-(2.2.2)cryptand
Property Insights of 6,7-(4-Methyl)coumaro-(2.2.2)cryptand
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-(4-Methyl)coumaro-(2.2.2)cryptand. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-(4-Methyl)coumaro-(2.2.2)cryptand. Following Lipinski's Rule of Five, 6,7-(4-Methyl)coumaro-(2.2.2)cryptand has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,7-(4-Methyl)coumaro-(2.2.2)cryptand?
The CAS number of 6,7-(4-Methyl)coumaro-(2.2.2)cryptand is 124804-69-9.
What is the molecular formula of 6,7-(4-Methyl)coumaro-(2.2.2)cryptand?
The molecular formula of 6,7-(4-Methyl)coumaro-(2.2.2)cryptand is C26H38N2O8.
What is the molecular weight of 6,7-(4-Methyl)coumaro-(2.2.2)cryptand?
The molecular weight of 6,7-(4-Methyl)coumaro-(2.2.2)cryptand is 506.26 g/mol.
Where can I buy 6,7-(4-Methyl)coumaro-(2.2.2)cryptand?
You can request a quote for 6,7-(4-Methyl)coumaro-(2.2.2)cryptand directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-(4-Methyl)coumaro-(2.2.2)cryptand?
Yes, KEHONG BIO provides custom synthesis services for 6,7-(4-Methyl)coumaro-(2.2.2)cryptand and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.