RefChem:1061694
TL;DR: RefChem:1061694 (CAS 66827-82-5) is a chemical compound with molecular formula C22H28ClNO2 and molecular weight 373.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(9-methyl-10H-anthracene-9-carbonyl)oxyethyl]azanium chloride
Also Known As: 9-Anthroic acid, 9,10-dihydro-9-methyl-, 2-(diethylamino)ethyl ester, hydrochloride, 9,10-Dihydro-9-methyl-9-anthroic acid -2-(diethylamino)ethyl ester hydrochloride, diethyl-[2-(9-methyl-10H-anthracene-9-carbonyl)oxyethyl]azanium chloride, 2-(Diethylamino)ethyl 9-methyl-9,10-dihydroanthracene-9-carboxylate--hydrogen chloride (1/1), 9-Anthracenecarboxylic acid, 9,10-dihydro-9-methyl-, 2-(diethylamino)ethyl ester, hydrochloride
| Molecular Formula | C22H28ClNO2 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | -0.63 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.18085 |
| Heavy Atoms | 26 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 66827-82-5 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1(C2=CC=CC=C2CC3=CC=CC=C31)C.[Cl-] |
| InChIKey | GROUTKAJQGPOOC-UHFFFAOYSA-N |
Product Overview
RefChem:1061694 (CAS 66827-82-5), with molecular formula C22H28ClNO2 and molecular weight 373.18 g/mol. IUPAC: diethyl-[2-(9-methyl-10H-anthracene-9-carbonyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:1061694
Property Insights of RefChem:1061694
The XLogP value of -0.63 indicates that RefChem:1061694 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1061694 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061694 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 RefChem:1061694?
The CAS number of RefChem:1061694 is 66827-82-5.
What is the molecular formula of RefChem:1061694?
The molecular formula of RefChem:1061694 is C22H28ClNO2.
What is the molecular weight of RefChem:1061694?
The molecular weight of RefChem:1061694 is 373.18 g/mol.
Where can I buy RefChem:1061694?
You can request a quote for RefChem:1061694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061694?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.