UPCMLD0ENAT5837805:001
TL;DR: UPCMLD0ENAT5837805:001 (CAS 851940-68-6) is a chemical compound with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5837805:001, 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione, AB00429036-10, 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione, F0634-0489
| Molecular Formula | C22H28N6O3 |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 0.4541 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.2223 |
| Heavy Atoms | 31 |
| Complexity | 1216.0026 |
Chemical Identifiers
| CAS Number | 851940-68-6 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5837805:001 (CAS 851940-68-6), with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol. IUPAC: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5837805:001
Property Insights of UPCMLD0ENAT5837805:001
The XLogP value of 0.4541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5837805:001. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5837805:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5837805:001 has 0 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5837805:001?
The CAS number of UPCMLD0ENAT5837805:001 is 851940-68-6.
What is the molecular formula of UPCMLD0ENAT5837805:001?
The molecular formula of UPCMLD0ENAT5837805:001 is C22H28N6O3.
What is the molecular weight of UPCMLD0ENAT5837805:001?
The molecular weight of UPCMLD0ENAT5837805:001 is 424.22 g/mol.
Where can I buy UPCMLD0ENAT5837805:001?
You can request a quote for UPCMLD0ENAT5837805:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5837805:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5837805:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.