ChemDiv2_006930
TL;DR: ChemDiv2_006930 (CAS 852171-48-3) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylsulfanyl-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: ChemDiv2_006930, IDI1_005645, 5-(ethylthio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, F0654-0905, 5-ethylsulfanyl-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 1.8148 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 1054.6516 |
Chemical Identifiers
| CAS Number | 852171-48-3 |
|---|---|
| SMILES | CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)OC |
Product Overview
ChemDiv2_006930 (CAS 852171-48-3), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: 5-ethylsulfanyl-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv2_006930
Property Insights of ChemDiv2_006930
The XLogP value of 1.8148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006930. The TPSA of 79.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006930. Following Lipinski's Rule of Five, ChemDiv2_006930 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_006930?
The CAS number of ChemDiv2_006930 is 852171-48-3.
What is the molecular formula of ChemDiv2_006930?
The molecular formula of ChemDiv2_006930 is C17H18N4O3S.
What is the molecular weight of ChemDiv2_006930?
The molecular weight of ChemDiv2_006930 is 358.11 g/mol.
Where can I buy ChemDiv2_006930?
You can request a quote for ChemDiv2_006930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006930?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.