UPCMLD0ENAT5820252:001
TL;DR: UPCMLD0ENAT5820252:001 (CAS 862979-75-7) is a chemical compound with molecular formula C25H29N5O3 and molecular weight 447.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5820252:001, 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione, 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-{[bisbenzylamino]methyl}-7-(2-ethoxyethyl)-3-methyl-1,3,7-trihydropurine-2,6 -dione
| Molecular Formula | C25H29N5O3 |
|---|---|
| Molecular Weight | 447.23 g/mol |
| LogP | 2.6622 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 447.22705 |
| Heavy Atoms | 33 |
| Complexity | 1267.6277 |
Chemical Identifiers
| CAS Number | 862979-75-7 |
|---|---|
| SMILES | CCOCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT5820252:001 (CAS 862979-75-7), with molecular formula C25H29N5O3 and molecular weight 447.23 g/mol. IUPAC: 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5820252:001
Property Insights of UPCMLD0ENAT5820252:001
The XLogP value of 2.6622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5820252:001. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5820252:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5820252:001 has 1 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 UPCMLD0ENAT5820252:001?
The CAS number of UPCMLD0ENAT5820252:001 is 862979-75-7.
What is the molecular formula of UPCMLD0ENAT5820252:001?
The molecular formula of UPCMLD0ENAT5820252:001 is C25H29N5O3.
What is the molecular weight of UPCMLD0ENAT5820252:001?
The molecular weight of UPCMLD0ENAT5820252:001 is 447.23 g/mol.
Where can I buy UPCMLD0ENAT5820252:001?
You can request a quote for UPCMLD0ENAT5820252:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5820252:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5820252:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.