Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-
TL;DR: Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- (CAS 58323-08-3) is a chemical compound with molecular formula C22H35Cl2N3O3 and molecular weight 459.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide;dihydrochloride
Also Known As: Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-, 3-{[2-(Dimethylamino)ethyl](methyl)amino}-N-(8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl)propanimidic acid--hydrogen chloride (1/2), 3-{[2-(Dimethylamino)ethyl](methyl)amino}-N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl]propanimidic acid--hydrogen chloride (1/2), N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-[2-dimethylaminoethyl(methyl)amino]propanamide dihydrochloride, RefChem:374056
| Molecular Formula | C22H35Cl2N3O3 |
|---|---|
| Molecular Weight | 459.21 g/mol |
| LogP | 2.58852 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.20554 |
| Heavy Atoms | 30 |
| Complexity | 759.1434 |
Chemical Identifiers
| CAS Number | 58323-08-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3NC(=O)CCN(C)CCN(C)C)C.Cl.Cl |
Product Overview
Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- (CAS 58323-08-3), with molecular formula C22H35Cl2N3O3 and molecular weight 459.21 g/mol. IUPAC: N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide;dihydrochloride.
Chemical Property Profile of Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-
Property Insights of Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-
The XLogP value of 2.58852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-. Following Lipinski's Rule of Five, Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- has 1 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 Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-?
The CAS number of Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- is 58323-08-3.
What is the molecular formula of Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-?
The molecular formula of Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- is C22H35Cl2N3O3.
What is the molecular weight of Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-?
The molecular weight of Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- is 459.21 g/mol.
Where can I buy Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-?
You can request a quote for Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.