RefChem:350362
TL;DR: RefChem:350362 (CAS 99998-17-1) is a chemical compound with molecular formula C20H31NO7 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-hydroxycyclohexyl)-methoxy-phenylmethoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: Cyclohexanol, 1-(alpha-(2-(dimethylamino)ethoxy)-alpha-methoxybenzyl)-, oxalate, Ketone, (1-hydroxycyclohexyl)phenyl, 2-(dimethylamino)ethyl methyl acetal, oxalate, 2-[(1-hydroxycyclohexyl)-methoxy-phenylmethoxy]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate, RefChem:350362
| Molecular Formula | C20H31NO7 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | -0.84 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.21005 |
| Heavy Atoms | 28 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 99998-17-1 |
|---|---|
| SMILES | C[NH+](C)CCOC(C1=CC=CC=C1)(C2(CCCCC2)O)OC.C(=O)(C(=O)[O-])O |
| InChIKey | WBKGUBGBFAGDQC-UHFFFAOYSA-N |
Product Overview
RefChem:350362 (CAS 99998-17-1), with molecular formula C20H31NO7 and molecular weight 397.21 g/mol. IUPAC: 2-[(1-hydroxycyclohexyl)-methoxy-phenylmethoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:350362
Property Insights of RefChem:350362
The XLogP value of -0.84 indicates that RefChem:350362 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350362. Following Lipinski's Rule of Five, RefChem:350362 has 3 hydrogen bond donor(s) and 7 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:350362?
The CAS number of RefChem:350362 is 99998-17-1.
What is the molecular formula of RefChem:350362?
The molecular formula of RefChem:350362 is C20H31NO7.
What is the molecular weight of RefChem:350362?
The molecular weight of RefChem:350362 is 397.21 g/mol.
Where can I buy RefChem:350362?
You can request a quote for RefChem:350362 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350362?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.