4,5-Dioxodehydrocrebanine
TL;DR: 4,5-Dioxodehydrocrebanine (CAS 77784-21-5) is a chemical compound with molecular formula C20H15NO6 and molecular weight 365.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene-9,10-dione
Also Known As: 4,5-Dioxodehydrocrebanine, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline-5,6(7H)-dione, 9,10-dimethoxy-7-methyl-, 9,10-Dimethoxy-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline-5,6(7H)-dione, 9,10-Dimethoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-5,6(7H)-dione, 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-5,6(7H)-dione, 9,10-dimethoxy-7-methyl
| Molecular Formula | C20H15NO6 |
|---|---|
| Molecular Weight | 365.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.08994 |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 77784-21-5 |
|---|---|
| SMILES | CN1C2=C3C(=CC4=C(C3=C5C=CC(=C(C5=C2)OC)OC)OCO4)C(=O)C1=O |
| InChIKey | TVMABCBARSLKAA-UHFFFAOYSA-N |
Product Overview
4,5-Dioxodehydrocrebanine (CAS 77784-21-5), with molecular formula C20H15NO6 and molecular weight 365.09 g/mol. IUPAC: 15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene-9,10-dione.
Chemical Property Profile of 4,5-Dioxodehydrocrebanine
Property Insights of 4,5-Dioxodehydrocrebanine
The XLogP value of 3.2 indicates that 4,5-Dioxodehydrocrebanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dioxodehydrocrebanine. Following Lipinski's Rule of Five, 4,5-Dioxodehydrocrebanine 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 4,5-Dioxodehydrocrebanine?
The CAS number of 4,5-Dioxodehydrocrebanine is 77784-21-5.
What is the molecular formula of 4,5-Dioxodehydrocrebanine?
The molecular formula of 4,5-Dioxodehydrocrebanine is C20H15NO6.
What is the molecular weight of 4,5-Dioxodehydrocrebanine?
The molecular weight of 4,5-Dioxodehydrocrebanine is 365.09 g/mol.
Where can I buy 4,5-Dioxodehydrocrebanine?
You can request a quote for 4,5-Dioxodehydrocrebanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dioxodehydrocrebanine?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dioxodehydrocrebanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.