Ascididemin
TL;DR: Ascididemin (CAS 13137-28-5) is a chemical compound with molecular formula C18H9N3O and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one
Also Known As: Ascididemin, Ascididemine, Leptoclinidinone, [?]one, Ascididemin (#111895)
| Molecular Formula | C18H9N3O |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 283.07455 |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 13137-28-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=NC=C3)C5=C(C=CC=N5)C(=O)C4=N2 |
| InChIKey | BTAIBIXHXSXUFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ascididemin (CAS 13137-28-5), with molecular formula C18H9N3O and molecular weight 283.07 g/mol. IUPAC: 2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one.
Chemical Property Profile of Ascididemin
Property Insights of Ascididemin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ascididemin. With a topological polar surface area (TPSA) of 55.7 Ų, Ascididemin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ascididemin has 0 hydrogen bond donor(s) and 4 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 Ascididemin?
The CAS number of Ascididemin is 13137-28-5.
What is the molecular formula of Ascididemin?
The molecular formula of Ascididemin is C18H9N3O.
What is the molecular weight of Ascididemin?
The molecular weight of Ascididemin is 283.07 g/mol.
Where can I buy Ascididemin?
You can request a quote for Ascididemin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ascididemin?
Yes, KEHONG BIO provides custom synthesis services for Ascididemin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.