UPCMLD0ENAT5839938:001
TL;DR: UPCMLD0ENAT5839938:001 (CAS 851941-18-9) is a chemical compound with molecular formula C22H30N6O4 and molecular weight 442.23 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]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5839938:001, 7-(2-methoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione, 7-(2-methoxyethyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2-methoxyethyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-methoxyethyl)-8-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H30N6O4 |
|---|---|
| Molecular Weight | 442.23 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.23285 |
| Heavy Atoms | 32 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 851941-18-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CCOC |
| InChIKey | VHZQBVVTJRRHBV-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5839938:001 (CAS 851941-18-9), with molecular formula C22H30N6O4 and molecular weight 442.23 g/mol. IUPAC: 7-(2-methoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5839938:001
Property Insights of UPCMLD0ENAT5839938:001
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5839938:001. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5839938:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5839938:001 has 0 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 UPCMLD0ENAT5839938:001?
The CAS number of UPCMLD0ENAT5839938:001 is 851941-18-9.
What is the molecular formula of UPCMLD0ENAT5839938:001?
The molecular formula of UPCMLD0ENAT5839938:001 is C22H30N6O4.
What is the molecular weight of UPCMLD0ENAT5839938:001?
The molecular weight of UPCMLD0ENAT5839938:001 is 442.23 g/mol.
Where can I buy UPCMLD0ENAT5839938:001?
You can request a quote for UPCMLD0ENAT5839938:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5839938:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5839938:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.