RefChem:547426
TL;DR: RefChem:547426 (CAS 477333-75-8) is a chemical compound with molecular formula C23H24BrN5O4 and molecular weight 513.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
Also Known As: 8-[BENZYL(METHYL)AMINO]-7-[3-(4-BROMOPHENOXY)-2-HYDROXYPROPYL]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-(benzyl-methyl-amino)-7-[3-(4-bromophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione, 8-[benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione, 650-841-8, 8-(BENZYL(METHYL)AMINO)-7-(3-(4-BROMOPHENOXY)-2-HYDROXYPROPYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C23H24BrN5O4 |
|---|---|
| Molecular Weight | 513.10 g/mol |
| LogP | 2.2621 |
| Topological Polar Surface Area | 105.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.1012 |
| Heavy Atoms | 33 |
| Complexity | 1362.1235 |
Chemical Identifiers
| CAS Number | 477333-75-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC(COC4=CC=C(C=C4)Br)O |
Product Overview
RefChem:547426 (CAS 477333-75-8), with molecular formula C23H24BrN5O4 and molecular weight 513.10 g/mol. IUPAC: 8-[benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of RefChem:547426
Property Insights of RefChem:547426
The XLogP value of 2.2621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:547426. The TPSA of 105.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:547426. Following Lipinski's Rule of Five, RefChem:547426 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:547426?
The CAS number of RefChem:547426 is 477333-75-8.
What is the molecular formula of RefChem:547426?
The molecular formula of RefChem:547426 is C23H24BrN5O4.
What is the molecular weight of RefChem:547426?
The molecular weight of RefChem:547426 is 513.10 g/mol.
Where can I buy RefChem:547426?
You can request a quote for RefChem:547426 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:547426?
Yes, KEHONG BIO provides custom synthesis services for RefChem:547426 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.