Ajmalicine, monohydrobromide
TL;DR: Ajmalicine, monohydrobromide (CAS 4506-38-1) is a chemical compound with molecular formula C22H31N3O and molecular weight 353.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-2-phenyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazol-3-one
Also Known As: Ajmalicine, monohydrobromide, AB00085309-01, 1,5-Dimethyl-2-phenyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazol-3-one, 1,5-dimethyl-2-phenyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,2-dihydro-3H-pyrazol-3-one, 1,5-dimethyl-2-phenyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]pyrazol-3-one
| Molecular Formula | C22H31N3O |
|---|---|
| Molecular Weight | 353.25 g/mol |
| LogP | 3.88502 |
| Topological Polar Surface Area | 30.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.2467 |
| Heavy Atoms | 26 |
| Complexity | 876.7826 |
Chemical Identifiers
| CAS Number | 4506-38-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CC4(CC3CC(C4)(C)C)C |
Product Overview
Ajmalicine, monohydrobromide (CAS 4506-38-1), with molecular formula C22H31N3O and molecular weight 353.25 g/mol. IUPAC: 1,5-dimethyl-2-phenyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazol-3-one.
Chemical Property Profile of Ajmalicine, monohydrobromide
Property Insights of Ajmalicine, monohydrobromide
The XLogP value of 3.88502 indicates that Ajmalicine, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.17 Ų, Ajmalicine, monohydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ajmalicine, monohydrobromide has 0 hydrogen bond donor(s) and 2 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 Ajmalicine, monohydrobromide?
The CAS number of Ajmalicine, monohydrobromide is 4506-38-1.
What is the molecular formula of Ajmalicine, monohydrobromide?
The molecular formula of Ajmalicine, monohydrobromide is C22H31N3O.
What is the molecular weight of Ajmalicine, monohydrobromide?
The molecular weight of Ajmalicine, monohydrobromide is 353.25 g/mol.
Where can I buy Ajmalicine, monohydrobromide?
You can request a quote for Ajmalicine, monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajmalicine, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Ajmalicine, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.