ChemDiv1_000834
TL;DR: ChemDiv1_000834 (CAS 304877-13-2) is a chemical compound with molecular formula C26H25N5O4 and molecular weight 471.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methylpurine-2,6-dione
Also Known As: ChemDiv1_000834, BAS 00552925, 8-(benzylamino)-7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(benzylamino)-7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methylpurine-2,6-dione, 8-BENZYLAMINO-7-(2-HO-3-(NAPHTHALEN-1-YLOXY)-PR)-3-ME-3,7-2H-PURINE-2,6-DIONE
| Molecular Formula | C26H25N5O4 |
|---|---|
| Molecular Weight | 471.19 g/mol |
| LogP | 2.6285 |
| Topological Polar Surface Area | 114.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.19064 |
| Heavy Atoms | 35 |
| Complexity | 1598.5079 |
Chemical Identifiers
| CAS Number | 304877-13-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(COC4=CC=CC5=CC=CC=C54)O |
Product Overview
ChemDiv1_000834 (CAS 304877-13-2), with molecular formula C26H25N5O4 and molecular weight 471.19 g/mol. IUPAC: 8-(benzylamino)-7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_000834
Property Insights of ChemDiv1_000834
The XLogP value of 2.6285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_000834. The TPSA of 114.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000834. Following Lipinski's Rule of Five, ChemDiv1_000834 has 3 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 ChemDiv1_000834?
The CAS number of ChemDiv1_000834 is 304877-13-2.
What is the molecular formula of ChemDiv1_000834?
The molecular formula of ChemDiv1_000834 is C26H25N5O4.
What is the molecular weight of ChemDiv1_000834?
The molecular weight of ChemDiv1_000834 is 471.19 g/mol.
Where can I buy ChemDiv1_000834?
You can request a quote for ChemDiv1_000834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000834?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.