Angustine
TL;DR: Angustine (CAS 40041-96-1) is a chemical compound with molecular formula C20H15N3O and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
19-ethenyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
Also Known As: Angustine, Angustin, (+-)-Angustolin, ACon1_001438, BRD-K36899820-001-01-4
| Molecular Formula | C20H15N3O |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.12152 |
| Heavy Atoms | 24 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 40041-96-1 |
|---|---|
| SMILES | C=CC1=CN=CC2=C1C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4 |
| InChIKey | FACXQEOSOVJIPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Angustine (CAS 40041-96-1), with molecular formula C20H15N3O and molecular weight 313.12 g/mol. IUPAC: 19-ethenyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one.
Chemical Property Profile of Angustine
Property Insights of Angustine
The XLogP value of 3.1 indicates that Angustine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, Angustine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Angustine 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 Angustine?
The CAS number of Angustine is 40041-96-1.
What is the molecular formula of Angustine?
The molecular formula of Angustine is C20H15N3O.
What is the molecular weight of Angustine?
The molecular weight of Angustine is 313.12 g/mol.
Where can I buy Angustine?
You can request a quote for Angustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Angustine?
Yes, KEHONG BIO provides custom synthesis services for Angustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.