UPCMLD0ENAT5828680:001
TL;DR: UPCMLD0ENAT5828680:001 (CAS 862979-94-0) is a chemical compound with molecular formula C21H26N6O4 and molecular weight 426.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-oxopropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5828680:001, AB00429392-10, F0669-0761, 8-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-3-methyl-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione, 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-oxopropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H26N6O4 |
|---|---|
| Molecular Weight | 426.20 g/mol |
| LogP | 0.3431 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.20154 |
| Heavy Atoms | 31 |
| Complexity | 1215.6263 |
Chemical Identifiers
| CAS Number | 862979-94-0 |
|---|---|
| SMILES | CC(=O)CN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC=C(C=C4)OC |
Product Overview
UPCMLD0ENAT5828680:001 (CAS 862979-94-0), with molecular formula C21H26N6O4 and molecular weight 426.20 g/mol. IUPAC: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-oxopropyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5828680:001
Property Insights of UPCMLD0ENAT5828680:001
The XLogP value of 0.3431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5828680:001. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5828680:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5828680:001 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 UPCMLD0ENAT5828680:001?
The CAS number of UPCMLD0ENAT5828680:001 is 862979-94-0.
What is the molecular formula of UPCMLD0ENAT5828680:001?
The molecular formula of UPCMLD0ENAT5828680:001 is C21H26N6O4.
What is the molecular weight of UPCMLD0ENAT5828680:001?
The molecular weight of UPCMLD0ENAT5828680:001 is 426.20 g/mol.
Where can I buy UPCMLD0ENAT5828680:001?
You can request a quote for UPCMLD0ENAT5828680:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5828680:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5828680:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.