4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride
TL;DR: 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride (CAS 83494-80-8) is a chemical compound with molecular formula C22H26ClN3O3 and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-N-[3-(dimethylamino)propyl]-2-oxo-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-4-carboxamide;hydrochloride
Also Known As: 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride, N-(2-cyanoethyl)-N-[3-(dimethylamino)propyl]-10-oxo-4,5-dihydrobenzo[1,2]cyclohepta[3,4-c]furan-1-carboxamide,hydrochloride, N-(2-Cyanoethyl)-N-[3-(dimethylamino)propyl]-4-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]furan-3-carboxamide--hydrogen chloride (1/1), RefChem:297473
| Molecular Formula | C22H26ClN3O3 |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 3.33858 |
| Topological Polar Surface Area | 77.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.16626 |
| Heavy Atoms | 29 |
| Complexity | 914.2666 |
Chemical Identifiers
| CAS Number | 83494-80-8 |
|---|---|
| SMILES | CN(C)CCCN(CCC#N)C(=O)C1=COC2=C1C(=O)C3=CC=CC=C3CC2.Cl |
Product Overview
4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride (CAS 83494-80-8), with molecular formula C22H26ClN3O3 and molecular weight 415.17 g/mol. IUPAC: N-(2-cyanoethyl)-N-[3-(dimethylamino)propyl]-2-oxo-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-4-carboxamide;hydrochloride.
Chemical Property Profile of 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride
Property Insights of 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride
The XLogP value of 3.33858 indicates that 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride. Following Lipinski's Rule of Five, 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride has 0 hydrogen bond donor(s) and 5 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 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride?
The CAS number of 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride is 83494-80-8.
What is the molecular formula of 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride?
The molecular formula of 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride is C22H26ClN3O3.
What is the molecular weight of 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride?
The molecular weight of 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride is 415.17 g/mol.
Where can I buy 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride?
You can request a quote for 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4H-Benzo(4,5)cyclohepta(1,2-b)furan-3-carboxamide, 9,10-dihydro-N-(2-cyanoethyl)-N-(3-(dimethylamino)propyl)-4-oxo-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.