UPCMLD0ENAT5732421:001
TL;DR: UPCMLD0ENAT5732421:001 (CAS 442864-53-1) is a chemical compound with molecular formula C20H26N6O4 and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-methoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5732421:001, BAS 04914647, 7-(2-methoxyethyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, VU0222995-4, AB00147671-11
| Molecular Formula | C20H26N6O4 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.20154 |
| Heavy Atoms | 30 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 442864-53-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCOC |
| InChIKey | XCFQMRGMCJNRNW-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5732421:001 (CAS 442864-53-1), with molecular formula C20H26N6O4 and molecular weight 414.20 g/mol. IUPAC: 7-(2-methoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5732421:001
Property Insights of UPCMLD0ENAT5732421:001
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5732421:001. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5732421:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5732421:001 has 1 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5732421:001?
The CAS number of UPCMLD0ENAT5732421:001 is 442864-53-1.
What is the molecular formula of UPCMLD0ENAT5732421:001?
The molecular formula of UPCMLD0ENAT5732421:001 is C20H26N6O4.
What is the molecular weight of UPCMLD0ENAT5732421:001?
The molecular weight of UPCMLD0ENAT5732421:001 is 414.20 g/mol.
Where can I buy UPCMLD0ENAT5732421:001?
You can request a quote for UPCMLD0ENAT5732421:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5732421:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5732421:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.