![Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1-methyl-, hexamethyl ester structure](/static/products/496/49616-80-0.png)
Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1-methyl-, hexamethyl ester
TL;DR: Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1-methyl-, hexamethyl ester (CAS 49616-80-0) is a chemical compound with molecular formula C29H29NO12 and molecular weight 583.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexamethyl 3-methyl-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-methyl-, hexamethyl ester, 10,11-Dihydro-1-methylcyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid hexamethyl ester, 10,11-Dihydro-1-methylcyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylicacidhexamethylester, 11,12,13,14,15,16-hexamethyl 3-methyl-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-methyl-10,11-dihydrocyclobuta[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylate #
| Molecular Formula | C29H29NO12 |
|---|---|
| Molecular Weight | 583.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 583.16895 |
| Heavy Atoms | 42 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 49616-80-0 |
|---|---|
| SMILES | CC1=C2C(=CC=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 |
| InChIKey | ZCFQIULPOQYRMX-UHFFFAOYSA-N |
Product Overview
Cyclobut[4,5]azepino[1,2-a]quinoline-7,7a,8,9,9a,10-hexacarboxylic acid, 10,11-dihydro-1-methyl-, hexamethyl ester (CAS 49616-80-0), with molecular formula C29H29NO12 and molecular weight 583.17 g/mol. IUPAC: hexamethyl 3-methyl-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-methyl-, 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-methyl-, hexamethyl ester
The XLogP value of 1.6 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-methyl-, 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-methyl-, 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-methyl-, 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-methyl-, 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-methyl-, hexamethyl ester is 49616-80-0.
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-methyl-, 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-methyl-, hexamethyl ester is C29H29NO12.
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-methyl-, 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-methyl-, hexamethyl ester is 583.17 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-methyl-, 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-methyl-, 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-methyl-, 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-methyl-, hexamethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.