UPCMLD0ENAT5822348:001
TL;DR: UPCMLD0ENAT5822348:001 (CAS 862980-02-7) is a chemical compound with molecular formula C23H30FN7O3 and molecular weight 471.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5822348:001, 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-morpholin-4-ylethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione, 8-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-3-methyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione, 8-{[4-(4-fluorophenyl)piperazinyl]methyl}-3-methyl-7-(2-morpholin-4-ylethyl)-1 ,3,7-trihydropurine-2,6-dione
| Molecular Formula | C23H30FN7O3 |
|---|---|
| Molecular Weight | 471.24 g/mol |
| LogP | 0.2168 |
| Topological Polar Surface Area | 91.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.2394 |
| Heavy Atoms | 34 |
| Complexity | 1252.5349 |
Chemical Identifiers
| CAS Number | 862980-02-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CCN5CCOCC5 |
Product Overview
UPCMLD0ENAT5822348:001 (CAS 862980-02-7), with molecular formula C23H30FN7O3 and molecular weight 471.24 g/mol. IUPAC: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5822348:001
Property Insights of UPCMLD0ENAT5822348:001
The XLogP value of 0.2168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5822348:001. The TPSA of 91.63 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5822348:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5822348:001 has 1 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 UPCMLD0ENAT5822348:001?
The CAS number of UPCMLD0ENAT5822348:001 is 862980-02-7.
What is the molecular formula of UPCMLD0ENAT5822348:001?
The molecular formula of UPCMLD0ENAT5822348:001 is C23H30FN7O3.
What is the molecular weight of UPCMLD0ENAT5822348:001?
The molecular weight of UPCMLD0ENAT5822348:001 is 471.24 g/mol.
Where can I buy UPCMLD0ENAT5822348:001?
You can request a quote for UPCMLD0ENAT5822348:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5822348:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5822348:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.