UPCMLD0ENAT5818669:001
TL;DR: UPCMLD0ENAT5818669:001 (CAS 862979-99-5) is a chemical compound with molecular formula C27H32N6O3 and molecular weight 488.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(dibenzylamino)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5818669:001, 8-[(dibenzylamino)methyl]-3-methyl-7-[2-(morpholin-4-yl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(dibenzylamino)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione, 8-[(dibenzylamino)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-{[bisbenzylamino]methyl}-3-methyl-7-(2-morpholin-4-ylethyl)-1,3,7-trihydropu rine-2,6-dione
| Molecular Formula | C27H32N6O3 |
|---|---|
| Molecular Weight | 488.25 g/mol |
| LogP | 1.9579 |
| Topological Polar Surface Area | 88.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.2536 |
| Heavy Atoms | 36 |
| Complexity | 1363.2208 |
Chemical Identifiers
| CAS Number | 862979-99-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCN5CCOCC5 |
Product Overview
UPCMLD0ENAT5818669:001 (CAS 862979-99-5), with molecular formula C27H32N6O3 and molecular weight 488.25 g/mol. IUPAC: 8-[(dibenzylamino)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5818669:001
Property Insights of UPCMLD0ENAT5818669:001
The XLogP value of 1.9579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5818669:001. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5818669:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5818669:001 has 1 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5818669:001?
The CAS number of UPCMLD0ENAT5818669:001 is 862979-99-5.
What is the molecular formula of UPCMLD0ENAT5818669:001?
The molecular formula of UPCMLD0ENAT5818669:001 is C27H32N6O3.
What is the molecular weight of UPCMLD0ENAT5818669:001?
The molecular weight of UPCMLD0ENAT5818669:001 is 488.25 g/mol.
Where can I buy UPCMLD0ENAT5818669:001?
You can request a quote for UPCMLD0ENAT5818669:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5818669:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5818669:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.