ChemDiv3_008201
TL;DR: ChemDiv3_008201 (CAS 892286-14-5) is a chemical compound with molecular formula C21H15FN4O4 and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
Also Known As: ChemDiv3_008201, IDI1_026111, methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate, methyl 2-{1-[(2-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}pyridine-3-carboxylate
| Molecular Formula | C21H15FN4O4 |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 1.9164 |
| Topological Polar Surface Area | 96.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.10773 |
| Heavy Atoms | 30 |
| Complexity | 1393.9034 |
Chemical Identifiers
| CAS Number | 892286-14-5 |
|---|---|
| SMILES | COC(=O)C1=C(N=CC=C1)N2C(=O)C3=C(N=CC=C3)N(C2=O)CC4=CC=CC=C4F |
Product Overview
ChemDiv3_008201 (CAS 892286-14-5), with molecular formula C21H15FN4O4 and molecular weight 406.11 g/mol. IUPAC: methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv3_008201
Property Insights of ChemDiv3_008201
The XLogP value of 1.9164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008201. The TPSA of 96.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008201. Following Lipinski's Rule of Five, ChemDiv3_008201 has 0 hydrogen bond donor(s) and 6 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 ChemDiv3_008201?
The CAS number of ChemDiv3_008201 is 892286-14-5.
What is the molecular formula of ChemDiv3_008201?
The molecular formula of ChemDiv3_008201 is C21H15FN4O4.
What is the molecular weight of ChemDiv3_008201?
The molecular weight of ChemDiv3_008201 is 406.11 g/mol.
Where can I buy ChemDiv3_008201?
You can request a quote for ChemDiv3_008201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008201?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.