UPCMLD0ENAT5774717:001
TL;DR: UPCMLD0ENAT5774717:001 (CAS 578720-87-3) is a chemical compound with molecular formula C20H25N5O4 and molecular weight 399.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Also Known As: UPCMLD0ENAT5774717:001, BAS 07401531, ethyl (8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate, ethyl 2-[8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate, ethyl 2-(8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
| Molecular Formula | C20H25N5O4 |
|---|---|
| Molecular Weight | 399.19 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.19064 |
| Heavy Atoms | 29 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 578720-87-3 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3 |
| InChIKey | SPDVMNJKMVUEHG-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5774717:001 (CAS 578720-87-3), with molecular formula C20H25N5O4 and molecular weight 399.19 g/mol. IUPAC: ethyl 2-[8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of UPCMLD0ENAT5774717:001
Property Insights of UPCMLD0ENAT5774717:001
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5774717:001. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5774717:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5774717:001 has 0 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 UPCMLD0ENAT5774717:001?
The CAS number of UPCMLD0ENAT5774717:001 is 578720-87-3.
What is the molecular formula of UPCMLD0ENAT5774717:001?
The molecular formula of UPCMLD0ENAT5774717:001 is C20H25N5O4.
What is the molecular weight of UPCMLD0ENAT5774717:001?
The molecular weight of UPCMLD0ENAT5774717:001 is 399.19 g/mol.
Where can I buy UPCMLD0ENAT5774717:001?
You can request a quote for UPCMLD0ENAT5774717:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5774717:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5774717:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.