ChemDiv1_004968
TL;DR: ChemDiv1_004968 (CAS 377066-78-9) is a chemical compound with molecular formula C21H26N6O6 and molecular weight 458.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: ChemDiv1_004968, 8-(cyclohexylamino)-7-(2-hydroxy-3-(4-nitrophenoxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, F0887-0003
| Molecular Formula | C21H26N6O6 |
|---|---|
| Molecular Weight | 458.19 g/mol |
| LogP | 1.516 |
| Topological Polar Surface Area | 157.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.19138 |
| Heavy Atoms | 33 |
| Complexity | 1255.2162 |
Chemical Identifiers
| CAS Number | 377066-78-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O |
Product Overview
ChemDiv1_004968 (CAS 377066-78-9), with molecular formula C21H26N6O6 and molecular weight 458.19 g/mol. IUPAC: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_004968
Property Insights of ChemDiv1_004968
The XLogP value of 1.516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004968. The TPSA of 157.31 Ų indicates high polarity, suggesting ChemDiv1_004968 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_004968 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_004968?
The CAS number of ChemDiv1_004968 is 377066-78-9.
What is the molecular formula of ChemDiv1_004968?
The molecular formula of ChemDiv1_004968 is C21H26N6O6.
What is the molecular weight of ChemDiv1_004968?
The molecular weight of ChemDiv1_004968 is 458.19 g/mol.
Where can I buy ChemDiv1_004968?
You can request a quote for ChemDiv1_004968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004968?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.