Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-
TL;DR: Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- (CAS 58322-98-8) is a chemical compound with molecular formula C25H31ClN2O3 and molecular weight 442.20 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]-2-[benzyl(ethyl)amino]acetamide;hydrochloride
Also Known As: Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-, [Benzyl(ethyl)amino]-N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl]ethanimidic acid--hydrogen chloride (1/1), 2-[Benzyl(ethyl)amino]-N-(8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl)ethanimidic acid--hydrogen chloride (1/1), N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-[benzyl(ethyl)amino]acetamide hydrochloride
| Molecular Formula | C25H31ClN2O3 |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 3.80532 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.20233 |
| Heavy Atoms | 31 |
| Complexity | 949.0382 |
Chemical Identifiers
| CAS Number | 58322-98-8 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)CC(=O)N[C@H]2[C@@H]3[C@](CCC2=O)(C4=C(O3)C=CC(=C4)C)C.Cl |
Product Overview
Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- (CAS 58322-98-8), with molecular formula C25H31ClN2O3 and molecular weight 442.20 g/mol. IUPAC: N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-[benzyl(ethyl)amino]acetamide;hydrochloride.
Chemical Property Profile of Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-
Property Insights of Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-
The XLogP value of 3.80532 indicates that Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- has 1 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 Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-?
The CAS number of Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- is 58322-98-8.
What is the molecular formula of Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-?
The molecular formula of Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- is C25H31ClN2O3.
What is the molecular weight of Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-?
The molecular weight of Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- is 442.20 g/mol.
Where can I buy Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-?
You can request a quote for Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (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 Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.