RefChem:505749
TL;DR: RefChem:505749 (CAS 68833-64-7) is a chemical compound with molecular formula C27H22N2O4 and molecular weight 438.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 12-methyl-10-(4-methylanilino)-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carboxylate
Also Known As: EINECS 272-407-3, 3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 2,7-dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-, ethyl ester, 1-Carbethoxy-4-methyl-6-(4-toluidino)-2-oxo-3-azabenzanthrone, 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-4-methyl-6-((4-methylphenyl)amino)-2,7-dioxo-, ethyl ester, ethyl2,7-dihydro-4-methyl-6-[ amino]-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate
| Molecular Formula | C27H22N2O4 |
|---|---|
| Molecular Weight | 438.16 g/mol |
| LogP | 5.27664 |
| Topological Polar Surface Area | 88.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.15796 |
| Heavy Atoms | 33 |
| Complexity | 1514.4203 |
Chemical Identifiers
| CAS Number | 68833-64-7 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=C(C(=C24)NC1=O)C)NC5=CC=C(C=C5)C |
Product Overview
RefChem:505749 (CAS 68833-64-7), with molecular formula C27H22N2O4 and molecular weight 438.16 g/mol. IUPAC: ethyl 12-methyl-10-(4-methylanilino)-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carboxylate.
Chemical Property Profile of RefChem:505749
Property Insights of RefChem:505749
The XLogP value of 5.27664 indicates that RefChem:505749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505749. Following Lipinski's Rule of Five, RefChem:505749 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505749?
The CAS number of RefChem:505749 is 68833-64-7.
What is the molecular formula of RefChem:505749?
The molecular formula of RefChem:505749 is C27H22N2O4.
What is the molecular weight of RefChem:505749?
The molecular weight of RefChem:505749 is 438.16 g/mol.
Where can I buy RefChem:505749?
You can request a quote for RefChem:505749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505749?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.