蜜茱萸碱
TL;DR: 蜜茱萸碱 (CAS 568-01-4) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蜜茱萸碱
4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
Also Known As: Melicopine, 4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one, HY-W437569, 4,5-Dimethoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-one, NCI60_003090
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 568-01-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C(=C3OC)OC)OCO4 |
| InChIKey | PEWWLIQAXYMMAN-UHFFFAOYSA-N |
Product Overview
蜜茱萸碱 (CAS 568-01-4), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: 4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one.
Chemical Property Profile of 蜜茱萸碱
Property Insights of 蜜茱萸碱
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蜜茱萸碱. With a topological polar surface area (TPSA) of 57.2 Ų, 蜜茱萸碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 蜜茱萸碱 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 蜜茱萸碱?
The CAS number of 蜜茱萸碱 is 568-01-4.
What is the molecular formula of 蜜茱萸碱?
The molecular formula of 蜜茱萸碱 is C17H15NO5.
What is the molecular weight of 蜜茱萸碱?
The molecular weight of 蜜茱萸碱 is 313.10 g/mol.
Where can I buy 蜜茱萸碱?
You can request a quote for 蜜茱萸碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蜜茱萸碱?
Yes, KEHONG BIO provides custom synthesis services for 蜜茱萸碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.