UPCMLD0ENAT5821760:001
TL;DR: UPCMLD0ENAT5821760:001 (CAS 879592-22-0) is a chemical compound with molecular formula C21H26ClFN6O2 and molecular weight 448.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5821760:001, 8-(4-(2-chloro-6-fluorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione, F2636-0114, 8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione, 8-[4-(2-chloro-6-fluorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H26ClFN6O2 |
|---|---|
| Molecular Weight | 448.18 g/mol |
| LogP | 2.194 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.179 |
| Heavy Atoms | 31 |
| Complexity | 1202.8086 |
Chemical Identifiers
| CAS Number | 879592-22-0 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N3CCN(CC3)CC4=C(C=CC=C4Cl)F)N(C(=O)NC2=O)C |
Product Overview
UPCMLD0ENAT5821760:001 (CAS 879592-22-0), with molecular formula C21H26ClFN6O2 and molecular weight 448.18 g/mol. IUPAC: 8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5821760:001
Property Insights of UPCMLD0ENAT5821760:001
The XLogP value of 2.194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5821760:001. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5821760:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5821760:001 has 1 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5821760:001?
The CAS number of UPCMLD0ENAT5821760:001 is 879592-22-0.
What is the molecular formula of UPCMLD0ENAT5821760:001?
The molecular formula of UPCMLD0ENAT5821760:001 is C21H26ClFN6O2.
What is the molecular weight of UPCMLD0ENAT5821760:001?
The molecular weight of UPCMLD0ENAT5821760:001 is 448.18 g/mol.
Where can I buy UPCMLD0ENAT5821760:001?
You can request a quote for UPCMLD0ENAT5821760:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5821760:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5821760:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.