UPCMLD0ENAT5821799:001
TL;DR: UPCMLD0ENAT5821799:001 (CAS 898409-03-5) is a chemical compound with molecular formula C21H27FN6O2 and molecular weight 414.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-fluorophenyl)methyl]-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5821799:001, F2636-0339, 7-[(4-fluorophenyl)methyl]-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]purine-2,6-dione, 7-(4-fluorobenzyl)-8-(4-isobutylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(4-fluorophenyl)methyl]-3-methyl-8-[4-(2-methylpropyl)piperazinyl]-1,3,7-tr ihydropurine-2,6-dione
| Molecular Formula | C21H27FN6O2 |
|---|---|
| Molecular Weight | 414.22 g/mol |
| LogP | 1.3887 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.21796 |
| Heavy Atoms | 30 |
| Complexity | 1153.1838 |
Chemical Identifiers
| CAS Number | 898409-03-5 |
|---|---|
| SMILES | CC(C)CN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C |
Product Overview
UPCMLD0ENAT5821799:001 (CAS 898409-03-5), with molecular formula C21H27FN6O2 and molecular weight 414.22 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5821799:001
Property Insights of UPCMLD0ENAT5821799:001
The XLogP value of 1.3887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5821799:001. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5821799:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5821799:001 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 UPCMLD0ENAT5821799:001?
The CAS number of UPCMLD0ENAT5821799:001 is 898409-03-5.
What is the molecular formula of UPCMLD0ENAT5821799:001?
The molecular formula of UPCMLD0ENAT5821799:001 is C21H27FN6O2.
What is the molecular weight of UPCMLD0ENAT5821799:001?
The molecular weight of UPCMLD0ENAT5821799:001 is 414.22 g/mol.
Where can I buy UPCMLD0ENAT5821799:001?
You can request a quote for UPCMLD0ENAT5821799:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5821799:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5821799:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.