![4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate structure](/static/products/6674/667408-81-3.webp)
4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate
TL;DR: 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate (CAS 667408-81-3) is a chemical compound with molecular formula C28H18ClN3O5 and molecular weight 511.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(7-methyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaen-2-yl)phenyl] 4-chlorobenzoate
Also Known As: 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate, 4-(1-methyl-2,4,6-trioxo-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidino[4,5-b]pyri din-5-yl)phenyl 4-chlorobenzoate
| Molecular Formula | C28H18ClN3O5 |
|---|---|
| Molecular Weight | 511.09 g/mol |
| LogP | 4.1112 |
| Topological Polar Surface Area | 110.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 511.0935 |
| Heavy Atoms | 37 |
| Complexity | 1765.7452 |
Chemical Identifiers
| CAS Number | 667408-81-3 |
|---|---|
| SMILES | CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)Cl)C(=O)NC1=O |
Product Overview
4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate (CAS 667408-81-3), with molecular formula C28H18ClN3O5 and molecular weight 511.09 g/mol. IUPAC: [4-(7-methyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaen-2-yl)phenyl] 4-chlorobenzoate.
Chemical Property Profile of 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate
Property Insights of 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate
The XLogP value of 4.1112 indicates that 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate?
The CAS number of 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate is 667408-81-3.
What is the molecular formula of 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate?
The molecular formula of 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate is C28H18ClN3O5.
What is the molecular weight of 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate?
The molecular weight of 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate is 511.09 g/mol.
Where can I buy 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate?
You can request a quote for 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.