UPCMLD0ENAT5839944:001
TL;DR: UPCMLD0ENAT5839944:001 (CAS 851938-91-5) is a chemical compound with molecular formula C20H25ClN6O2 and molecular weight 416.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5839944:001, 7-(2-chlorobenzyl)-1,3-dimethyl-8-((4-methylpiperazin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione, AB00429631-03, F0634-0275, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
| Molecular Formula | C20H25ClN6O2 |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 0.8828 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.17276 |
| Heavy Atoms | 29 |
| Complexity | 1170.1538 |
Chemical Identifiers
| CAS Number | 851938-91-5 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5839944:001 (CAS 851938-91-5), with molecular formula C20H25ClN6O2 and molecular weight 416.17 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5839944:001
Property Insights of UPCMLD0ENAT5839944:001
The XLogP value of 0.8828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5839944:001. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5839944:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5839944:001 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 UPCMLD0ENAT5839944:001?
The CAS number of UPCMLD0ENAT5839944:001 is 851938-91-5.
What is the molecular formula of UPCMLD0ENAT5839944:001?
The molecular formula of UPCMLD0ENAT5839944:001 is C20H25ClN6O2.
What is the molecular weight of UPCMLD0ENAT5839944:001?
The molecular weight of UPCMLD0ENAT5839944:001 is 416.17 g/mol.
Where can I buy UPCMLD0ENAT5839944:001?
You can request a quote for UPCMLD0ENAT5839944:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5839944:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5839944:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.