ChemDiv1_005056
TL;DR: ChemDiv1_005056 (CAS 333752-29-7) is a chemical compound with molecular formula C21H23N5O6 and molecular weight 441.16 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]-3-methylpurine-2,6-dione
Also Known As: ChemDiv1_005056, BAS 02999112, 8-((furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F0887-0048, 8-(furan-2-ylmethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione
| Molecular Formula | C21H23N5O6 |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 1.0769 |
| Topological Polar Surface Area | 136.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.16483 |
| Heavy Atoms | 32 |
| Complexity | 1303.6975 |
Chemical Identifiers
| CAS Number | 333752-29-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC(COC4=CC=C(C=C4)OC)O |
Product Overview
ChemDiv1_005056 (CAS 333752-29-7), with molecular formula C21H23N5O6 and molecular weight 441.16 g/mol. IUPAC: 8-(furan-2-ylmethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_005056
Property Insights of ChemDiv1_005056
The XLogP value of 1.0769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005056. The TPSA of 136.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005056. Following Lipinski's Rule of Five, ChemDiv1_005056 has 3 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_005056?
The CAS number of ChemDiv1_005056 is 333752-29-7.
What is the molecular formula of ChemDiv1_005056?
The molecular formula of ChemDiv1_005056 is C21H23N5O6.
What is the molecular weight of ChemDiv1_005056?
The molecular weight of ChemDiv1_005056 is 441.16 g/mol.
Where can I buy ChemDiv1_005056?
You can request a quote for ChemDiv1_005056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005056?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.