吴茱萸次碱
TL;DR: 吴茱萸次碱 (CAS 84-26-4) is a chemical compound with molecular formula C18H13N3O and molecular weight 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吴茱萸次碱
3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
Also Known As: Rutaecarpine, Rutecarpine, Rhetine, Rutacarpine, Rutaecarpin
| Molecular Formula | C18H13N3O |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 287.10587 |
| Heavy Atoms | 22 |
| Complexity | 516.0 |
| Melting Point | 260 °C |
| Boiling Point | 209.00 °C. @ 760.00 mm Hg |
| Solubility | very slightly |
Chemical Identifiers
| CAS Number | 84-26-4 |
|---|---|
| SMILES | C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4 |
| InChIKey | ACVGWSKVRYFWRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吴茱萸次碱 (CAS 84-26-4), with molecular formula C18H13N3O and molecular weight 287.11 g/mol. IUPAC: 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one.
Chemical Property Profile of 吴茱萸次碱
Property Insights of 吴茱萸次碱
The XLogP value of 3.0 indicates that 吴茱萸次碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, 吴茱萸次碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吴茱萸次碱 has 1 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 吴茱萸次碱?
The CAS number of 吴茱萸次碱 is 84-26-4.
What is the molecular formula of 吴茱萸次碱?
The molecular formula of 吴茱萸次碱 is C18H13N3O.
What is the molecular weight of 吴茱萸次碱?
The molecular weight of 吴茱萸次碱 is 287.11 g/mol.
Where can I buy 吴茱萸次碱?
You can request a quote for 吴茱萸次碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吴茱萸次碱?
Yes, KEHONG BIO provides custom synthesis services for 吴茱萸次碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.