UPCMLD0ENAT5822366:001
TL;DR: UPCMLD0ENAT5822366:001 (CAS 862979-73-5) is a chemical compound with molecular formula C24H27N5O3 and molecular weight 433.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(dibenzylamino)methyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5822366:001, 8-[(dibenzylamino)methyl]-6-hydroxy-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one, 8-[(dibenzylamino)methyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione, 8-[(dibenzylamino)methyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione, 8-((dibenzylamino)methyl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C24H27N5O3 |
|---|---|
| Molecular Weight | 433.21 g/mol |
| LogP | 2.2721 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.2114 |
| Heavy Atoms | 32 |
| Complexity | 1250.9615 |
Chemical Identifiers
| CAS Number | 862979-73-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCOC |
Product Overview
UPCMLD0ENAT5822366:001 (CAS 862979-73-5), with molecular formula C24H27N5O3 and molecular weight 433.21 g/mol. IUPAC: 8-[(dibenzylamino)methyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5822366:001
Property Insights of UPCMLD0ENAT5822366:001
The XLogP value of 2.2721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5822366:001. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5822366:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5822366:001 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 UPCMLD0ENAT5822366:001?
The CAS number of UPCMLD0ENAT5822366:001 is 862979-73-5.
What is the molecular formula of UPCMLD0ENAT5822366:001?
The molecular formula of UPCMLD0ENAT5822366:001 is C24H27N5O3.
What is the molecular weight of UPCMLD0ENAT5822366:001?
The molecular weight of UPCMLD0ENAT5822366:001 is 433.21 g/mol.
Where can I buy UPCMLD0ENAT5822366:001?
You can request a quote for UPCMLD0ENAT5822366:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5822366:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5822366:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.