RefChem:1061722
TL;DR: RefChem:1061722 (CAS 96459-41-5) is a chemical compound with molecular formula C24H32ClNO3 and molecular weight 417.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]oxyethyl]azanium chloride
Also Known As: 2-Diethylaminoethyl 2-(beta-tetralyl)-2-phenylglycolate hydrochloride, 2-Naphthaleneglycolic acid, 5,6,7,8-tetrahydro-alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride, diethyl-[2-[2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]oxyethyl]azanium chloride, 2-NAPHTHALENEGLYCOLIC ACID, 5,6,7,8-TETRAHYDRO-alpha-PHENYL-, 2-(DIETHYLAMINO)ET, 2-(Diethylamino)ethyl hydroxy(phenyl)(5,6,7,8-tetrahydronaphthalen-2-yl)acetate--hydrogen chloride (1/1)
| Molecular Formula | C24H32ClNO3 |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | -0.73 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.20706 |
| Heavy Atoms | 29 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 96459-41-5 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC3=C(CCCC3)C=C2)O.[Cl-] |
| InChIKey | LSPWAKBFGFSZDB-UHFFFAOYSA-N |
Product Overview
RefChem:1061722 (CAS 96459-41-5), with molecular formula C24H32ClNO3 and molecular weight 417.21 g/mol. IUPAC: diethyl-[2-[2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:1061722
Property Insights of RefChem:1061722
The XLogP value of -0.73 indicates that RefChem:1061722 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:1061722 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061722 has 2 hydrogen bond donor(s) and 4 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:1061722?
The CAS number of RefChem:1061722 is 96459-41-5.
What is the molecular formula of RefChem:1061722?
The molecular formula of RefChem:1061722 is C24H32ClNO3.
What is the molecular weight of RefChem:1061722?
The molecular weight of RefChem:1061722 is 417.21 g/mol.
Where can I buy RefChem:1061722?
You can request a quote for RefChem:1061722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061722?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.