RefChem:326033
TL;DR: RefChem:326033 (CAS 22558-20-9) is a chemical compound with molecular formula C21H25ClN2O and molecular weight 356.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-2-(dimethylamino)ethanone;hydrochloride
Also Known As: Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(N,N-dimethylglycyl)-, monohydrochloride, 2-(Dimethylamino)-1-(3,7,8,12b-tetrahydrobenzo[6,7]cyclohepta[1,2,3-de]isoquinolin-2(1H)-yl)ethan-1-one--hydrogen chloride (1/1), RefChem:326033
| Molecular Formula | C21H25ClN2O |
|---|---|
| Molecular Weight | 356.17 g/mol |
| LogP | 3.2427 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.16553 |
| Heavy Atoms | 25 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 22558-20-9 |
|---|---|
| SMILES | CN(C)CC(=O)N1CC2C3=CC=CC=C3CCC4=C2C(=CC=C4)C1.Cl |
| InChIKey | WBOPHJUZFCKIPH-UHFFFAOYSA-N |
Product Overview
RefChem:326033 (CAS 22558-20-9), with molecular formula C21H25ClN2O and molecular weight 356.17 g/mol. IUPAC: 1-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-2-(dimethylamino)ethanone;hydrochloride.
Chemical Property Profile of RefChem:326033
Property Insights of RefChem:326033
The XLogP value of 3.2427 indicates that RefChem:326033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:326033 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326033 has 1 hydrogen bond donor(s) and 2 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:326033?
The CAS number of RefChem:326033 is 22558-20-9.
What is the molecular formula of RefChem:326033?
The molecular formula of RefChem:326033 is C21H25ClN2O.
What is the molecular weight of RefChem:326033?
The molecular weight of RefChem:326033 is 356.17 g/mol.
Where can I buy RefChem:326033?
You can request a quote for RefChem:326033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326033?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.