UPCMLD0ENAT5829943:001
TL;DR: UPCMLD0ENAT5829943:001 (CAS 898797-29-0) 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-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5829943:001, 8-(4-(2,5-dimethylbenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione, F2636-0108, 8-[4-(2,5-dimethylbenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C23H32N6O2 |
|---|---|
| Molecular Weight | 424.26 g/mol |
| LogP | 2.01834 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.25867 |
| Heavy Atoms | 31 |
| Complexity | 1211.2554 |
Chemical Identifiers
| CAS Number | 898797-29-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2CCN(CC2)C3=NC4=C(N3CC(C)C)C(=O)NC(=O)N4C |
Product Overview
UPCMLD0ENAT5829943:001 (CAS 898797-29-0), with molecular formula C23H32N6O2 and molecular weight 424.26 g/mol. IUPAC: 8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5829943:001
Property Insights of UPCMLD0ENAT5829943:001
The XLogP value of 2.01834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5829943:001. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829943:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829943:001 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 UPCMLD0ENAT5829943:001?
The CAS number of UPCMLD0ENAT5829943:001 is 898797-29-0.
What is the molecular formula of UPCMLD0ENAT5829943:001?
The molecular formula of UPCMLD0ENAT5829943:001 is C23H32N6O2.
What is the molecular weight of UPCMLD0ENAT5829943:001?
The molecular weight of UPCMLD0ENAT5829943:001 is 424.26 g/mol.
Where can I buy UPCMLD0ENAT5829943:001?
You can request a quote for UPCMLD0ENAT5829943:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829943:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829943:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.