UPCMLD0ENAT5818658:001
TL;DR: UPCMLD0ENAT5818658:001 (CAS 879772-44-8) is a chemical compound with molecular formula C22H30N6O2 and molecular weight 410.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-7-(2-methylpropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5818658:001, 7-isobutyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F2636-0107, 3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-7-(2-methylpropyl)purine-2,6-dione, 3-methyl-8-[4-(4-methylbenzyl)piperazin-1-yl]-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H30N6O2 |
|---|---|
| Molecular Weight | 410.24 g/mol |
| LogP | 1.70992 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.243 |
| Heavy Atoms | 30 |
| Complexity | 1147.315 |
Chemical Identifiers
| CAS Number | 879772-44-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=C(N3CC(C)C)C(=O)NC(=O)N4C |
Product Overview
UPCMLD0ENAT5818658:001 (CAS 879772-44-8), with molecular formula C22H30N6O2 and molecular weight 410.24 g/mol. IUPAC: 3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5818658:001
Property Insights of UPCMLD0ENAT5818658:001
The XLogP value of 1.70992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5818658:001. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5818658:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5818658:001 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 UPCMLD0ENAT5818658:001?
The CAS number of UPCMLD0ENAT5818658:001 is 879772-44-8.
What is the molecular formula of UPCMLD0ENAT5818658:001?
The molecular formula of UPCMLD0ENAT5818658:001 is C22H30N6O2.
What is the molecular weight of UPCMLD0ENAT5818658:001?
The molecular weight of UPCMLD0ENAT5818658:001 is 410.24 g/mol.
Where can I buy UPCMLD0ENAT5818658:001?
You can request a quote for UPCMLD0ENAT5818658:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5818658:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5818658:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.