ChemDiv1_005100
TL;DR: ChemDiv1_005100 (CAS 333752-30-0) is a chemical compound with molecular formula C22H25N5O6 and molecular weight 455.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(furan-2-ylmethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: ChemDiv1_005100, BAS 02999113, 8-((furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F0887-0049, 8-(furan-2-ylmethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H25N5O6 |
|---|---|
| Molecular Weight | 455.18 g/mol |
| LogP | 1.0873 |
| Topological Polar Surface Area | 125.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.18048 |
| Heavy Atoms | 33 |
| Complexity | 1351.4285 |
Chemical Identifiers
| CAS Number | 333752-30-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC(COC4=CC=C(C=C4)OC)O |
Product Overview
ChemDiv1_005100 (CAS 333752-30-0), with molecular formula C22H25N5O6 and molecular weight 455.18 g/mol. IUPAC: 8-(furan-2-ylmethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_005100
Property Insights of ChemDiv1_005100
The XLogP value of 1.0873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005100. The TPSA of 125.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005100. Following Lipinski's Rule of Five, ChemDiv1_005100 has 2 hydrogen bond donor(s) and 8 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_005100?
The CAS number of ChemDiv1_005100 is 333752-30-0.
What is the molecular formula of ChemDiv1_005100?
The molecular formula of ChemDiv1_005100 is C22H25N5O6.
What is the molecular weight of ChemDiv1_005100?
The molecular weight of ChemDiv1_005100 is 455.18 g/mol.
Where can I buy ChemDiv1_005100?
You can request a quote for ChemDiv1_005100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005100?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.