UPCMLD0ENAT5782301:001
TL;DR: UPCMLD0ENAT5782301:001 (CAS 851941-27-0) is a chemical compound with molecular formula C24H33N5O3 and molecular weight 439.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5782301:001, 8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione, 8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-ethoxyethyl)-1,3-dimethyl-8-{[4-benzylpiperidyl]methyl}-1,3,7-trihydropur ine-2,6-dione
| Molecular Formula | C24H33N5O3 |
|---|---|
| Molecular Weight | 439.26 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.25833 |
| Heavy Atoms | 32 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 851941-27-0 |
|---|---|
| SMILES | CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)CC4=CC=CC=C4 |
| InChIKey | YEYFKUPLTYNDEG-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5782301:001 (CAS 851941-27-0), with molecular formula C24H33N5O3 and molecular weight 439.26 g/mol. IUPAC: 8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5782301:001
Property Insights of UPCMLD0ENAT5782301:001
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5782301:001. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5782301:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5782301:001 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 UPCMLD0ENAT5782301:001?
The CAS number of UPCMLD0ENAT5782301:001 is 851941-27-0.
What is the molecular formula of UPCMLD0ENAT5782301:001?
The molecular formula of UPCMLD0ENAT5782301:001 is C24H33N5O3.
What is the molecular weight of UPCMLD0ENAT5782301:001?
The molecular weight of UPCMLD0ENAT5782301:001 is 439.26 g/mol.
Where can I buy UPCMLD0ENAT5782301:001?
You can request a quote for UPCMLD0ENAT5782301:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5782301:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5782301:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.