![Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester structure](/static/products/4961/49616-87-7.webp)
Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester
TL;DR: Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester (CAS 49616-87-7) is a chemical compound with molecular formula C31H33NO12 and molecular weight 611.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexamethyl 3,5,8-trimethyl-1-azatetracyclo[8.7.0.02,7.012,15]heptadeca-2,4,6,8,10,13-hexaene-11,12,13,14,15,16-hexacarboxylate
Also Known As: Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester, 10,11-Dihydro-1,3,5-trimethylcyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid hexamethyl ester, 10,11-Dihydro-1,3,5-trimethylcyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylicacidhexamethylester, 11,12,13,14,15,16-hexamethyl 3,5,8-trimethyl-1-azatetracyclo[8.7.0.02,7.012,15]heptadeca-2,4,6,8,10,13-hexaene-11,12,13,14,15,16-hexacarboxylate, Hexamethyl 1,3,5-trimethyl-10,11-dihydrocyclobuta[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylate #
| Molecular Formula | C31H33NO12 |
|---|---|
| Molecular Weight | 611.20 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 611.20026 |
| Heavy Atoms | 44 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 49616-87-7 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=CC3=C(C4(C(=C(C4(C(CN32)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C)C |
| InChIKey | ODPLZPUULREVRO-UHFFFAOYSA-N |
Product Overview
Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester (CAS 49616-87-7), with molecular formula C31H33NO12 and molecular weight 611.20 g/mol. IUPAC: hexamethyl 3,5,8-trimethyl-1-azatetracyclo[8.7.0.02,7.012,15]heptadeca-2,4,6,8,10,13-hexaene-11,12,13,14,15,16-hexacarboxylate.
Chemical Property Profile of Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester
Property Insights of Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester. The TPSA of 161.0 Ų indicates high polarity, suggesting Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester?
The CAS number of Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester is 49616-87-7.
What is the molecular formula of Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester?
The molecular formula of Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester is C31H33NO12.
What is the molecular weight of Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester?
The molecular weight of Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester is 611.20 g/mol.
Where can I buy Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester?
You can request a quote for Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1,3,5-trimethyl-, hexamethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.