![methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate structure](/static/products/1044/104497-08-7.webp)
methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
TL;DR: methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate (CAS 104497-08-7) is a chemical compound with molecular formula C18H18N4O6 and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Also Known As: methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate, methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate, Methyl 5,8-Dihydro-1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C18H18N4O6 |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 0.9966 |
| Topological Polar Surface Area | 125.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.12262 |
| Heavy Atoms | 28 |
| Complexity | 1157.6414 |
Chemical Identifiers
| CAS Number | 104497-08-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate (CAS 104497-08-7), with molecular formula C18H18N4O6 and molecular weight 386.12 g/mol. IUPAC: methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
Property Insights of methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 0.9966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate. The TPSA of 125.47 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate?
The CAS number of methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate is 104497-08-7.
What is the molecular formula of methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate is C18H18N4O6.
What is the molecular weight of methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate is 386.12 g/mol.
Where can I buy methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.