RefChem:339802
TL;DR: RefChem:339802 (CAS 60796-46-5) is a chemical compound with molecular formula C22H33NO6 and molecular weight 407.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethyl-6-pentylchromen-7-yl)oxyethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: C20H31NO2.1/2C2H2O4, Ethanamine, 2-((2,2-dimethyl-6-pentyl-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl-, ethanedioate (2:1), 7-(2'-Dimethylaminoethoxy)-2,2'-dimethyl-6-n-pentylchromene oxalate, C20-H31-N-O2.1/2C2-H2-O4, 2-((2,2-Dimethyl-6-pentyl-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamine ethanedioate (2:1)
| Molecular Formula | C22H33NO6 |
|---|---|
| Molecular Weight | 407.23 g/mol |
| LogP | 0.95 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.23077 |
| Heavy Atoms | 29 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 60796-46-5 |
|---|---|
| SMILES | CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)OCC[NH+](C)C.C(=O)(C(=O)[O-])O |
| InChIKey | QHOKFMBCPGACQW-UHFFFAOYSA-N |
Product Overview
RefChem:339802 (CAS 60796-46-5), with molecular formula C22H33NO6 and molecular weight 407.23 g/mol. IUPAC: 2-(2,2-dimethyl-6-pentylchromen-7-yl)oxyethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:339802
Property Insights of RefChem:339802
The XLogP value of 0.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339802. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:339802. Following Lipinski's Rule of Five, RefChem:339802 has 2 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 RefChem:339802?
The CAS number of RefChem:339802 is 60796-46-5.
What is the molecular formula of RefChem:339802?
The molecular formula of RefChem:339802 is C22H33NO6.
What is the molecular weight of RefChem:339802?
The molecular weight of RefChem:339802 is 407.23 g/mol.
Where can I buy RefChem:339802?
You can request a quote for RefChem:339802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339802?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.