ChemDiv2_006842
TL;DR: ChemDiv2_006842 (CAS 852167-94-3) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: ChemDiv2_006842, IDI1_005557, 5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, F0654-0020, 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 1.40712 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1247.3208 |
Chemical Identifiers
| CAS Number | 852167-94-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)N3CCCC4=CC=CC=C43)C(=O)N(C(=O)N2C)C |
Product Overview
ChemDiv2_006842 (CAS 852167-94-3), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv2_006842
Property Insights of ChemDiv2_006842
The XLogP value of 1.40712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006842. The TPSA of 90.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006842. Following Lipinski's Rule of Five, ChemDiv2_006842 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 ChemDiv2_006842?
The CAS number of ChemDiv2_006842 is 852167-94-3.
What is the molecular formula of ChemDiv2_006842?
The molecular formula of ChemDiv2_006842 is C20H21N5O3S.
What is the molecular weight of ChemDiv2_006842?
The molecular weight of ChemDiv2_006842 is 411.14 g/mol.
Where can I buy ChemDiv2_006842?
You can request a quote for ChemDiv2_006842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006842?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.