F1873-1172
TL;DR: F1873-1172 (CAS 872694-55-8) is a chemical compound with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(diethylamino)ethylsulfanyl]-1,3-dimethyl-7-(4-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F1873-1172, 5-((2-(diethylamino)ethyl)thio)-1,3-dimethyl-7-(p-tolyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-{[2-(diethylamino)ethyl]sulfanyl}-1,3-dimethyl-7-(4-methylphenyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione, 5-(2-diethylaminoethylsulfanyl)-1,3-dimethyl-7-(4-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione, 5-[2-(diethylamino)ethylsulfanyl]-1,3-dimethyl-7-(4-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C21H27N5O2S |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 2.43652 |
| Topological Polar Surface Area | 73.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.18854 |
| Heavy Atoms | 29 |
| Complexity | 1130.9922 |
Chemical Identifiers
| CAS Number | 872694-55-8 |
|---|---|
| SMILES | CCN(CC)CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)C |
Product Overview
F1873-1172 (CAS 872694-55-8), with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol. IUPAC: 5-[2-(diethylamino)ethylsulfanyl]-1,3-dimethyl-7-(4-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F1873-1172
Property Insights of F1873-1172
The XLogP value of 2.43652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1873-1172. The TPSA of 73.02 Ų falls within the moderate polarity range, balancing permeability and solubility for F1873-1172. Following Lipinski's Rule of Five, F1873-1172 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 F1873-1172?
The CAS number of F1873-1172 is 872694-55-8.
What is the molecular formula of F1873-1172?
The molecular formula of F1873-1172 is C21H27N5O2S.
What is the molecular weight of F1873-1172?
The molecular weight of F1873-1172 is 413.19 g/mol.
Where can I buy F1873-1172?
You can request a quote for F1873-1172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1873-1172?
Yes, KEHONG BIO provides custom synthesis services for F1873-1172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.