Isoevodiamine
TL;DR: Isoevodiamine (CAS 5956-87-6) 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.
21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
Also Known As: Evodiamine, Isoevodiamine, (+/-)-Evodiamine, d-Evodiamine, Evodiamine;
| Molecular Formula | C19H17N3O |
|---|---|
| Molecular Weight | 303.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.13718 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 5956-87-6 |
|---|---|
| SMILES | CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3 |
| InChIKey | TXDUTHBFYKGSAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoevodiamine (CAS 5956-87-6), with molecular formula C19H17N3O and molecular weight 303.14 g/mol. IUPAC: 21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one.
Chemical Property Profile of Isoevodiamine
Property Insights of Isoevodiamine
The XLogP value of 3.1 indicates that Isoevodiamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, Isoevodiamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoevodiamine 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 Isoevodiamine?
The CAS number of Isoevodiamine is 5956-87-6.
What is the molecular formula of Isoevodiamine?
The molecular formula of Isoevodiamine is C19H17N3O.
What is the molecular weight of Isoevodiamine?
The molecular weight of Isoevodiamine is 303.14 g/mol.
Where can I buy Isoevodiamine?
You can request a quote for Isoevodiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoevodiamine?
Yes, KEHONG BIO provides custom synthesis services for Isoevodiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.