去氢吴茱萸碱
TL;DR: 去氢吴茱萸碱 (CAS 79953-05-2) is a chemical compound with molecular formula C19H17N3O and molecular weight 303.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去氢吴茱萸碱
21-methyl-13-aza-21-azonia-3-azanidapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),4,6,8,15,17,19-heptaen-14-one
Also Known As: Dehydroevodiamine, Dehydroevodiamine [M+H]+, 14-methyl-5-oxo-7,8,8a,13a-tetrahydro-5h-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-ium-13-ide, 21-methyl-13-aza-21-azonia-3-azanidapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),4,6,8,15,17,19-heptaen-14-one, Indolo(2',3':3,4)pyrido(2,1-b)quinazolinium, 5,7,8,13-tetrahydro-14-methyl-5-oxo-, hydroxide, inner salt
| Molecular Formula | C19H17N3O |
|---|---|
| Molecular Weight | 303.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 24.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.13718 |
| Heavy Atoms | 23 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 79953-05-2 |
|---|---|
| SMILES | C[N+]1=C2C3C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5[N-]3 |
| InChIKey | SBQCRXRVLAINNJ-UHFFFAOYSA-N |
Product Overview
去氢吴茱萸碱 (CAS 79953-05-2), with molecular formula C19H17N3O and molecular weight 303.14 g/mol. IUPAC: 21-methyl-13-aza-21-azonia-3-azanidapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),4,6,8,15,17,19-heptaen-14-one.
Chemical Property Profile of 去氢吴茱萸碱
Property Insights of 去氢吴茱萸碱
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 去氢吴茱萸碱. With a topological polar surface area (TPSA) of 24.3 Ų, 去氢吴茱萸碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 去氢吴茱萸碱 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 去氢吴茱萸碱?
The CAS number of 去氢吴茱萸碱 is 79953-05-2.
What is the molecular formula of 去氢吴茱萸碱?
The molecular formula of 去氢吴茱萸碱 is C19H17N3O.
What is the molecular weight of 去氢吴茱萸碱?
The molecular weight of 去氢吴茱萸碱 is 303.14 g/mol.
Where can I buy 去氢吴茱萸碱?
You can request a quote for 去氢吴茱萸碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去氢吴茱萸碱?
Yes, KEHONG BIO provides custom synthesis services for 去氢吴茱萸碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.