1-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-
TL;DR: 1-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- (CAS 58323-10-7) is a chemical compound with molecular formula C23H33ClN3O4+ and molecular weight 450.22 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-acetylpiperazin-4-ium-1-yl]propanamide;hydrochloride
Also Known As: 1-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-, 1-Piperazinepropanamide,4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-,monohydrochloride, (4a,4ab,9bb)- (9CI), 3-[4-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-4-acetylpiperazin-4-ium-1-yl]propanamide hydrochloride
| Molecular Formula | C23H33ClN3O4+ |
|---|---|
| Molecular Weight | 450.22 g/mol |
| LogP | 1.72132 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.21597 |
| Heavy Atoms | 31 |
| Complexity | 896.8078 |
Chemical Identifiers
| CAS Number | 58323-10-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3[N+]4(CCN(CC4)CCC(=O)N)C(=O)C)C.Cl |
Product Overview
1-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- (CAS 58323-10-7), with molecular formula C23H33ClN3O4+ and molecular weight 450.22 g/mol. IUPAC: 3-[4-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-4-acetylpiperazin-4-ium-1-yl]propanamide;hydrochloride.
Chemical Property Profile of 1-Piperazinepropanamide, 4-acetyl-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 1-Piperazinepropanamide, 4-acetyl-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 1.72132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-. Following Lipinski's Rule of Five, 1-Piperazinepropanamide, 4-acetyl-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 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 1-Piperazinepropanamide, 4-acetyl-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 1-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- is 58323-10-7.
What is the molecular formula of 1-Piperazinepropanamide, 4-acetyl-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 1-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- is C23H33ClN3O4+.
What is the molecular weight of 1-Piperazinepropanamide, 4-acetyl-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 1-Piperazinepropanamide, 4-acetyl-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)- is 450.22 g/mol.
Where can I buy 1-Piperazinepropanamide, 4-acetyl-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 1-Piperazinepropanamide, 4-acetyl-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 1-Piperazinepropanamide, 4-acetyl-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 1-Piperazinepropanamide, 4-acetyl-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.