![4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate structure](/static/products/371/371931-95-2.png)
4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate
TL;DR: 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate (CAS 371931-95-2) is a chemical compound with molecular formula C30H23N3O5 and molecular weight 505.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5,7-dimethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaen-2-yl)phenyl] 3-methylbenzoate
Also Known As: 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate, 4-(1,3-dimethyl-2,4,6-trioxo-1,3,5,5a-tetrahydrobenzo[1',2'-5,1]cyclopenta[3,4 -e]pyrimidino[4,5-b]pyridin-5-yl)phenyl 3-methylbenzoate
| Molecular Formula | C30H23N3O5 |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 3.69042 |
| Topological Polar Surface Area | 99.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 505.16376 |
| Heavy Atoms | 38 |
| Complexity | 1811.3029 |
Chemical Identifiers
| CAS Number | 371931-95-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)C3C4C(=NC5=C3C(=O)N(C(=O)N5C)C)C6=CC=CC=C6C4=O |
Product Overview
4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate (CAS 371931-95-2), with molecular formula C30H23N3O5 and molecular weight 505.16 g/mol. IUPAC: [4-(5,7-dimethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaen-2-yl)phenyl] 3-methylbenzoate.
Chemical Property Profile of 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate
Property Insights of 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate
The XLogP value of 3.69042 indicates that 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate. Following Lipinski's Rule of Five, 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate has 0 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-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate?
The CAS number of 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate is 371931-95-2.
What is the molecular formula of 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate?
The molecular formula of 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate is C30H23N3O5.
What is the molecular weight of 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate?
The molecular weight of 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate is 505.16 g/mol.
Where can I buy 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate?
You can request a quote for 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.