2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1)
TL;DR: 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1) (CAS 64046-91-9) is a chemical compound with molecular formula C21H24ClNO2 and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(anthracene-9-carbonyloxy)ethyl-diethylazanium chloride
Also Known As: (Diethylamino)ethyl anthracene-10-carboxylate HCl, 2-(Diethylamino)ethyl anthracene-10-carboxylate hydrochloride, 2-(Diethylamino)ethyl ester of anthracene-10-carboxylic acid hydrochloride, 2-(anthracene-9-carbonyloxy)ethyl-diethylazanium chloride, -(Diethylamino)ethyl anthracene-10-carboxylate hydrochloride
| Molecular Formula | C21H24ClNO2 |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | 0.08 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.14957 |
| Heavy Atoms | 25 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 64046-91-9 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31.[Cl-] |
| InChIKey | RIQFAHOGTLRWSQ-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1) (CAS 64046-91-9), with molecular formula C21H24ClNO2 and molecular weight 357.15 g/mol. IUPAC: 2-(anthracene-9-carbonyloxy)ethyl-diethylazanium chloride.
Chemical Property Profile of 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1)
Property Insights of 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1)
The XLogP value of 0.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 30.7 Ų, 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 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 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1)?
The CAS number of 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1) is 64046-91-9.
What is the molecular formula of 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1)?
The molecular formula of 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1) is C21H24ClNO2.
What is the molecular weight of 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1)?
The molecular weight of 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1) is 357.15 g/mol.
Where can I buy 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1)?
You can request a quote for 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl anthracene-9-carboxylate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.