1-Piperazinepropanamide, 4-ethyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-
TL;DR: 1-Piperazinepropanamide, 4-ethyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- (CAS 58323-11-8) is a chemical compound with molecular formula C23H36Cl2N3O3+ and molecular weight 472.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-4-ethylpiperazin-4-ium-1-yl]propanamide;dihydrochloride
Also Known As: 1-Piperazinepropanamide, 4-ethyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-, 3-[4-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-4-ethylpiperazin-4-ium-1-yl]propanamide dihydrochloride
| Molecular Formula | C23H36Cl2N3O3+ |
|---|---|
| Molecular Weight | 472.21 g/mol |
| LogP | 2.61652 |
| Topological Polar Surface Area | 72.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.21338 |
| Heavy Atoms | 31 |
| Complexity | 826.2848 |
Chemical Identifiers
| CAS Number | 58323-11-8 |
|---|---|
| SMILES | CC[N+]1(CCN(CC1)CCC(=O)N)[C@H]2[C@@H]3[C@](CCC2=O)(C4=C(O3)C=CC(=C4)C)C.Cl.Cl |
Product Overview
1-Piperazinepropanamide, 4-ethyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- (CAS 58323-11-8), with molecular formula C23H36Cl2N3O3+ and molecular weight 472.21 g/mol. IUPAC: 3-[4-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-4-ethylpiperazin-4-ium-1-yl]propanamide;dihydrochloride.
Chemical Property Profile of 1-Piperazinepropanamide, 4-ethyl-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 1-Piperazinepropanamide, 4-ethyl-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 2.61652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanamide, 4-ethyl-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 72.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinepropanamide, 4-ethyl-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, 1-Piperazinepropanamide, 4-ethyl-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 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 1-Piperazinepropanamide, 4-ethyl-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 1-Piperazinepropanamide, 4-ethyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- is 58323-11-8.
What is the molecular formula of 1-Piperazinepropanamide, 4-ethyl-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 1-Piperazinepropanamide, 4-ethyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- is C23H36Cl2N3O3+.
What is the molecular weight of 1-Piperazinepropanamide, 4-ethyl-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 1-Piperazinepropanamide, 4-ethyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)- is 472.21 g/mol.
Where can I buy 1-Piperazinepropanamide, 4-ethyl-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 1-Piperazinepropanamide, 4-ethyl-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 1-Piperazinepropanamide, 4-ethyl-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 1-Piperazinepropanamide, 4-ethyl-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.