RefChem:305584
TL;DR: RefChem:305584 (CAS 67196-56-9) is a chemical compound with molecular formula C22H28ClNO3 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonyl)oxyethyl]azanium chloride
Also Known As: 2-Diethylaminoethyl 5-hydroxydibenzo(a,d)cycloheptadiene-5-carboxylate hydrochloride, 5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-2-diethylaminoethyl ester, hydrochloride, 5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-2- diethylaminoethyl ester, hydrochloride, 5H-Dibenzo[a,d]cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-, 2-(diethylamino)ethyl ester, hydrochloride, RefChem:305584
| Molecular Formula | C22H28ClNO3 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | -1.51 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.17578 |
| Heavy Atoms | 27 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 67196-56-9 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1(C2=CC=CC=C2CCC3=CC=CC=C31)O.[Cl-] |
| InChIKey | QPSRJKRSGQILHY-UHFFFAOYSA-N |
Product Overview
RefChem:305584 (CAS 67196-56-9), with molecular formula C22H28ClNO3 and molecular weight 389.18 g/mol. IUPAC: diethyl-[2-(2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:305584
Property Insights of RefChem:305584
The XLogP value of -1.51 indicates that RefChem:305584 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:305584 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305584 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:305584?
The CAS number of RefChem:305584 is 67196-56-9.
What is the molecular formula of RefChem:305584?
The molecular formula of RefChem:305584 is C22H28ClNO3.
What is the molecular weight of RefChem:305584?
The molecular weight of RefChem:305584 is 389.18 g/mol.
Where can I buy RefChem:305584?
You can request a quote for RefChem:305584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305584?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.