UPCMLD0ENAT5836582:001
TL;DR: UPCMLD0ENAT5836582:001 (CAS 851941-68-9) is a chemical compound with molecular formula C23H32N6O2 and molecular weight 424.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5836582:001, 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione, F0634-0636, 1,3-dimethyl-7-(2-methylpropyl)-8-{[4-benzylpiperazinyl]methyl}-1,3,7-trihydro purine-2,6-dione, 8-((4-benzylpiperazin-1-yl)methyl)-7-isobutyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C23H32N6O2 |
|---|---|
| Molecular Weight | 424.26 g/mol |
| LogP | 1.4075 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.25867 |
| Heavy Atoms | 31 |
| Complexity | 1166.7253 |
Chemical Identifiers
| CAS Number | 851941-68-9 |
|---|---|
| SMILES | CC(C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT5836582:001 (CAS 851941-68-9), with molecular formula C23H32N6O2 and molecular weight 424.26 g/mol. IUPAC: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5836582:001
Property Insights of UPCMLD0ENAT5836582:001
The XLogP value of 1.4075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5836582:001. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5836582:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5836582:001 has 0 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 UPCMLD0ENAT5836582:001?
The CAS number of UPCMLD0ENAT5836582:001 is 851941-68-9.
What is the molecular formula of UPCMLD0ENAT5836582:001?
The molecular formula of UPCMLD0ENAT5836582:001 is C23H32N6O2.
What is the molecular weight of UPCMLD0ENAT5836582:001?
The molecular weight of UPCMLD0ENAT5836582:001 is 424.26 g/mol.
Where can I buy UPCMLD0ENAT5836582:001?
You can request a quote for UPCMLD0ENAT5836582:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5836582:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5836582:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.