UPCMLD0ENAT5852394:001
TL;DR: UPCMLD0ENAT5852394:001 (CAS 578753-35-2) is a chemical compound with molecular formula C23H24ClN5O2 and molecular weight 437.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[benzyl(methyl)amino]methyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5852394:001, 8-{[benzyl(methyl)amino]methyl}-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[[benzyl(methyl)amino]methyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-{[benzyl(methyl)amino]methyl}-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-((benzyl(methyl)amino)methyl)-7-(2-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C23H24ClN5O2 |
|---|---|
| Molecular Weight | 437.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.16187 |
| Heavy Atoms | 31 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 578753-35-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CC4=CC=CC=C4Cl |
| InChIKey | LYVVIETWFMWMJP-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5852394:001 (CAS 578753-35-2), with molecular formula C23H24ClN5O2 and molecular weight 437.16 g/mol. IUPAC: 8-[[benzyl(methyl)amino]methyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5852394:001
Property Insights of UPCMLD0ENAT5852394:001
The XLogP value of 3.2 indicates that UPCMLD0ENAT5852394:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5852394:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5852394:001 has 0 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5852394:001?
The CAS number of UPCMLD0ENAT5852394:001 is 578753-35-2.
What is the molecular formula of UPCMLD0ENAT5852394:001?
The molecular formula of UPCMLD0ENAT5852394:001 is C23H24ClN5O2.
What is the molecular weight of UPCMLD0ENAT5852394:001?
The molecular weight of UPCMLD0ENAT5852394:001 is 437.16 g/mol.
Where can I buy UPCMLD0ENAT5852394:001?
You can request a quote for UPCMLD0ENAT5852394:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5852394:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5852394:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.