NCI60_030006
TL;DR: NCI60_030006 (CAS 339310-71-3) is a chemical compound with molecular formula C18H16N6O5 and molecular weight 396.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-N-[(4-nitrophenyl)methylideneamino]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
Also Known As: NCI60_030006, 1,3,7-trimethyl-N'-(4-nitrobenzylidene)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carbohydrazide, 1,3,7-trimethyl-N-[(4-nitrophenyl)methylideneamino]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
| Molecular Formula | C18H16N6O5 |
|---|---|
| Molecular Weight | 396.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.11823 |
| Heavy Atoms | 29 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 339310-71-3 |
|---|---|
| SMILES | CC1=C(C=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | SBIYCHORJOJXNT-UHFFFAOYSA-N |
Product Overview
NCI60_030006 (CAS 339310-71-3), with molecular formula C18H16N6O5 and molecular weight 396.12 g/mol. IUPAC: 1,3,7-trimethyl-N-[(4-nitrophenyl)methylideneamino]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
Chemical Property Profile of NCI60_030006
Property Insights of NCI60_030006
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_030006. The TPSA of 141.0 Ų indicates high polarity, suggesting NCI60_030006 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_030006 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 NCI60_030006?
The CAS number of NCI60_030006 is 339310-71-3.
What is the molecular formula of NCI60_030006?
The molecular formula of NCI60_030006 is C18H16N6O5.
What is the molecular weight of NCI60_030006?
The molecular weight of NCI60_030006 is 396.12 g/mol.
Where can I buy NCI60_030006?
You can request a quote for NCI60_030006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_030006?
Yes, KEHONG BIO provides custom synthesis services for NCI60_030006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.