Dicentrinone
TL;DR: Dicentrinone (CAS 16408-78-9) is a chemical compound with molecular formula C19H13NO5 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
Also Known As: Dicentrinone, Oxodicentrine, dimethoxy[?]one, 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 10,11-dimethoxy-, 10,11-Dimethoxy-8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one
| Molecular Formula | C19H13NO5 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.07938 |
| Heavy Atoms | 25 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 16408-78-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=C4C(=CC5=C3OCO5)C=CN=C4C2=O)OC |
| InChIKey | NEQVOBXBOFZEMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dicentrinone (CAS 16408-78-9), with molecular formula C19H13NO5 and molecular weight 335.08 g/mol. IUPAC: 16,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one.
Chemical Property Profile of Dicentrinone
Property Insights of Dicentrinone
The XLogP value of 3.3 indicates that Dicentrinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dicentrinone. Following Lipinski's Rule of Five, Dicentrinone has 0 hydrogen bond donor(s) and 6 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 Dicentrinone?
The CAS number of Dicentrinone is 16408-78-9.
What is the molecular formula of Dicentrinone?
The molecular formula of Dicentrinone is C19H13NO5.
What is the molecular weight of Dicentrinone?
The molecular weight of Dicentrinone is 335.08 g/mol.
Where can I buy Dicentrinone?
You can request a quote for Dicentrinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicentrinone?
Yes, KEHONG BIO provides custom synthesis services for Dicentrinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.