RefChem:1063890
TL;DR: RefChem:1063890 (CAS 94439-70-0) is a chemical compound with molecular formula C19H30ClNO3 and molecular weight 355.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl]oxyethyl]azanium chloride
Also Known As: 2-Naphthaleneglycolic acid, 5,6,7,8-tetrahydro-alpha-methyl-, 2-(diethylamino)ethyl ester, hydrochloride, 2-Diethylaminoethyl 2-(beta-tetralyl)-2-methylglycolate hydrochloride, 2-NAPHTHALENEGLYCOLIC ACID, 5,6,7,8-TETRAHYDRO-alpha-METHYL-, 2-(DIETHYLAMINO)ET, diethyl-[2-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl]oxyethyl]azanium chloride, RefChem:1063890
| Molecular Formula | C19H30ClNO3 |
|---|---|
| Molecular Weight | 355.19 g/mol |
| LogP | -1.76 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.1914 |
| Heavy Atoms | 24 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 94439-70-0 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C(C)(C1=CC2=C(CCCC2)C=C1)O.[Cl-] |
| InChIKey | NUERXTGVQRUUHM-UHFFFAOYSA-N |
Product Overview
RefChem:1063890 (CAS 94439-70-0), with molecular formula C19H30ClNO3 and molecular weight 355.19 g/mol. IUPAC: diethyl-[2-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl]oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:1063890
Property Insights of RefChem:1063890
The XLogP value of -1.76 indicates that RefChem:1063890 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:1063890 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1063890 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:1063890?
The CAS number of RefChem:1063890 is 94439-70-0.
What is the molecular formula of RefChem:1063890?
The molecular formula of RefChem:1063890 is C19H30ClNO3.
What is the molecular weight of RefChem:1063890?
The molecular weight of RefChem:1063890 is 355.19 g/mol.
Where can I buy RefChem:1063890?
You can request a quote for RefChem:1063890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063890?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.