UPCMLD0ENAT5774709:001
TL;DR: UPCMLD0ENAT5774709:001 (CAS 872628-07-4) is a chemical compound with molecular formula C22H27FN6O3 and molecular weight 442.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5774709:001, VU0489642-1, F1890-0122, 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione, 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H27FN6O3 |
|---|---|
| Molecular Weight | 442.21 g/mol |
| LogP | 1.045 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.21286 |
| Heavy Atoms | 32 |
| Complexity | 1299.4641 |
Chemical Identifiers
| CAS Number | 872628-07-4 |
|---|---|
| SMILES | CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F |
Product Overview
UPCMLD0ENAT5774709:001 (CAS 872628-07-4), with molecular formula C22H27FN6O3 and molecular weight 442.21 g/mol. IUPAC: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5774709:001
Property Insights of UPCMLD0ENAT5774709:001
The XLogP value of 1.045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5774709:001. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5774709:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5774709:001 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 UPCMLD0ENAT5774709:001?
The CAS number of UPCMLD0ENAT5774709:001 is 872628-07-4.
What is the molecular formula of UPCMLD0ENAT5774709:001?
The molecular formula of UPCMLD0ENAT5774709:001 is C22H27FN6O3.
What is the molecular weight of UPCMLD0ENAT5774709:001?
The molecular weight of UPCMLD0ENAT5774709:001 is 442.21 g/mol.
Where can I buy UPCMLD0ENAT5774709:001?
You can request a quote for UPCMLD0ENAT5774709:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5774709:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5774709:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.