ChemDiv2_007071
TL;DR: ChemDiv2_007071 (CAS 902964-41-4) is a chemical compound with molecular formula C18H16ClN3O4 and molecular weight 373.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate
Also Known As: ChemDiv2_007071, IDI1_005786, F6548-1940, ethyl 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetate, ethyl 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate
| Molecular Formula | C18H16ClN3O4 |
|---|---|
| Molecular Weight | 373.08 g/mol |
| LogP | 1.823 |
| Topological Polar Surface Area | 83.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.08295 |
| Heavy Atoms | 26 |
| Complexity | 1087.7218 |
Chemical Identifiers
| CAS Number | 902964-41-4 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=CC=N2)C(=O)N(C1=O)CC3=CC=CC=C3Cl |
Product Overview
ChemDiv2_007071 (CAS 902964-41-4), with molecular formula C18H16ClN3O4 and molecular weight 373.08 g/mol. IUPAC: ethyl 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate.
Chemical Property Profile of ChemDiv2_007071
Property Insights of ChemDiv2_007071
The XLogP value of 1.823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_007071. The TPSA of 83.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_007071. Following Lipinski's Rule of Five, ChemDiv2_007071 has 0 hydrogen bond donor(s) and 5 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 ChemDiv2_007071?
The CAS number of ChemDiv2_007071 is 902964-41-4.
What is the molecular formula of ChemDiv2_007071?
The molecular formula of ChemDiv2_007071 is C18H16ClN3O4.
What is the molecular weight of ChemDiv2_007071?
The molecular weight of ChemDiv2_007071 is 373.08 g/mol.
Where can I buy ChemDiv2_007071?
You can request a quote for ChemDiv2_007071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007071?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.