RefChem:1067069
TL;DR: RefChem:1067069 (CAS 66827-81-4) 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.
3-(9,10-dihydroanthracene-9-carbonyloxy)propyl-diethylazanium chloride
Also Known As: 9,10-Dihydro-9-anthroic acid 3-(diethylamino)propyl ester hydrochloride, 3-(9,10-dihydroanthracene-9-carbonyloxy)propyl-diethylazanium chloride, 9-ANTHROIC ACID, 9,10-DIHYDRO-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE, 3-(Diethylamino)propyl 9,10-dihydroanthracene-9-carboxylate--hydrogen chloride (1/1), 9-Anthracenecarboxylic acid, 9,10-dihydro-, 3-(diethylamino)propyl ester, hydrochloride
| Molecular Formula | C22H28ClNO2 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | -0.42 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.18085 |
| Heavy Atoms | 26 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 66827-81-4 |
|---|---|
| SMILES | CC[NH+](CC)CCCOC(=O)C1C2=CC=CC=C2CC3=CC=CC=C13.[Cl-] |
| InChIKey | NODVCAUSFKGTJA-UHFFFAOYSA-N |
Product Overview
RefChem:1067069 (CAS 66827-81-4), with molecular formula C22H28ClNO2 and molecular weight 373.18 g/mol. IUPAC: 3-(9,10-dihydroanthracene-9-carbonyloxy)propyl-diethylazanium chloride.
Chemical Property Profile of RefChem:1067069
Property Insights of RefChem:1067069
The XLogP value of -0.42 indicates that RefChem:1067069 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:1067069 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067069 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:1067069?
The CAS number of RefChem:1067069 is 66827-81-4.
What is the molecular formula of RefChem:1067069?
The molecular formula of RefChem:1067069 is C22H28ClNO2.
What is the molecular weight of RefChem:1067069?
The molecular weight of RefChem:1067069 is 373.18 g/mol.
Where can I buy RefChem:1067069?
You can request a quote for RefChem:1067069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067069?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.