RefChem:1074889
TL;DR: RefChem:1074889 (CAS 96577-66-1) is a chemical compound with molecular formula C21H28ClNO6 and molecular weight 425.16052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-ethoxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropan-2-yl]-diethylazanium chloride
Also Known As: 5H-Furo(3,2-g)(1)benzopyran-5-one, 9-(2-(diethylamino)-3-ethoxypropoxy)-4-hydroxy-7-methyl-, hydrochloride, 2-Methyl-5-hydroxy-8-(beta-diaethylamino-gamma-aethoxypropoxy)furano-6,7:2'3'-chromon-HCl, [1-ethoxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropan-2-yl]-diethylazanium chloride, 5H-FURO(3,2-g)(1)BENZOPYRAN-5-ONE, 9-(2-(DIETHYLAMINO)-3-ETHOXYPROPOXY)-4-HYDROX, 9-(2-(Diethylamino)-3-ethoxypropoxy)-4-hydroxy-2-methyl-5H-furo(3,2-g)(1)benzopyran-5-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C21H28ClNO6 |
| Molecular Weight | 425.16052 g/mol |
| XLogP | -0.73 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.16052 Da |
| Heavy Atoms | 29 |
| Complexity | 551.0 |
| SMILES | CC[NH+](CC)C(COCC)COC1=C2C(=C(C3=C1OC=CC3=O)O)C=C(O2)C.[Cl-] |
| InChIKey | RDDGTKHXFBZFOO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1074889
Property Insights of RefChem:1074889
The XLogP value of -0.73 indicates that RefChem:1074889 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1074889. Following Lipinski's Rule of Five, RefChem:1074889 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1074889?
The CAS number of RefChem:1074889 is 96577-66-1.
What is the molecular formula of RefChem:1074889?
The molecular formula of RefChem:1074889 is C21H28ClNO6.
What is the molecular weight of RefChem:1074889?
The molecular weight of RefChem:1074889 is 425.16052 g/mol.
Where can I buy RefChem:1074889?
You can request a quote for RefChem:1074889 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1074889?
Yes, CoreyChem provides custom synthesis services for RefChem:1074889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.