RefChem:305579
TL;DR: RefChem:305579 (CAS 1429-60-3) 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.
2-(diethylamino)ethyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate;hydrochloride
Also Known As: 2-Diethylaminoethyl dibenzo(a,d)cycloheptadiene-5-carboxylate hydrochloride, 5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-, 2-diethylaminoethyl ester, hydrochloride, 2-(diethylamino)ethyl 10,11-dihydro-5h-dibenzo[a,d][7]annulene-5-carboxylate hydrochloride(1:1), 2-(Diethylamino)ethyl 10,11-dihydro-5H-dibenzo[a,d][7]annulene-5-carboxylate--hydrogen chloride (1/1), RefChem:305579
| Molecular Formula | C22H28ClNO2 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | 4.22 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.18085 |
| Heavy Atoms | 26 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 1429-60-3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1C2=CC=CC=C2CCC3=CC=CC=C13.Cl |
| InChIKey | JKWOMDOTXBZERD-UHFFFAOYSA-N |
Product Overview
RefChem:305579 (CAS 1429-60-3), with molecular formula C22H28ClNO2 and molecular weight 373.18 g/mol. IUPAC: 2-(diethylamino)ethyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:305579
Property Insights of RefChem:305579
The XLogP value of 4.22 indicates that RefChem:305579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:305579 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305579 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:305579?
The CAS number of RefChem:305579 is 1429-60-3.
What is the molecular formula of RefChem:305579?
The molecular formula of RefChem:305579 is C22H28ClNO2.
What is the molecular weight of RefChem:305579?
The molecular weight of RefChem:305579 is 373.18 g/mol.
Where can I buy RefChem:305579?
You can request a quote for RefChem:305579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305579?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.