ChemDiv2_007018
TL;DR: ChemDiv2_007018 (CAS 852171-52-9) is a chemical compound with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: ChemDiv2_007018, IDI1_005733, F0654-0915, 7-(4-methoxyphenyl)-1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(4-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C21H23N5O4S |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 1.4173 |
| Topological Polar Surface Area | 99.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.14706 |
| Heavy Atoms | 31 |
| Complexity | 1259.9758 |
Chemical Identifiers
| CAS Number | 852171-52-9 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)SCC(=O)N4CCCC4)C(=O)N(C1=O)C |
Product Overview
ChemDiv2_007018 (CAS 852171-52-9), with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol. IUPAC: 7-(4-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv2_007018
Property Insights of ChemDiv2_007018
The XLogP value of 1.4173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_007018. The TPSA of 99.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_007018. Following Lipinski's Rule of Five, ChemDiv2_007018 has 0 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 ChemDiv2_007018?
The CAS number of ChemDiv2_007018 is 852171-52-9.
What is the molecular formula of ChemDiv2_007018?
The molecular formula of ChemDiv2_007018 is C21H23N5O4S.
What is the molecular weight of ChemDiv2_007018?
The molecular weight of ChemDiv2_007018 is 441.15 g/mol.
Where can I buy ChemDiv2_007018?
You can request a quote for ChemDiv2_007018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007018?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.