![dimethoxy[?]one structure](/static/products/818/81816-05-9.png)
dimethoxy[?]one
TL;DR: dimethoxy[?]one (CAS 81816-05-9) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[12.7.0.02,10.04,8.015,20]henicosa-1(14),2,4(8),9,15(20),16,18-heptaen-21-one
Also Known As: dimethoxy[?]one, NCI60_003242, 5,6,7,13-tetrahydro-9,10-dimethoxy-2,3-methylenedioxybenzind, 1,3-Dioxolo[4,5-h]indeno[2,1-a][3]benzazepin-12(5H)-one, 6,7-dihydro-8,9-dimethoxy-, 8,9-Dimethoxy-6,7-dihydro-2H-[1,3]dioxolo[4,5-h]indeno[2,1-a][3]benzazepin-12(5H)-one
| Molecular Formula | C20H17NO5 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.1107 |
| Heavy Atoms | 26 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 81816-05-9 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=O)C3=C2NCCC4=CC5=C(C=C43)OCO5)OC |
| InChIKey | MKHRAWDXJGOQHG-UHFFFAOYSA-N |
Product Overview
dimethoxy[?]one (CAS 81816-05-9), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[12.7.0.02,10.04,8.015,20]henicosa-1(14),2,4(8),9,15(20),16,18-heptaen-21-one.
Chemical Property Profile of dimethoxy[?]one
Property Insights of dimethoxy[?]one
The XLogP value of 3.1 indicates that dimethoxy[?]one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethoxy[?]one. Following Lipinski's Rule of Five, dimethoxy[?]one has 1 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 dimethoxy[?]one?
The CAS number of dimethoxy[?]one is 81816-05-9.
What is the molecular formula of dimethoxy[?]one?
The molecular formula of dimethoxy[?]one is C20H17NO5.
What is the molecular weight of dimethoxy[?]one?
The molecular weight of dimethoxy[?]one is 351.11 g/mol.
Where can I buy dimethoxy[?]one?
You can request a quote for dimethoxy[?]one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethoxy[?]one?
Yes, KEHONG BIO provides custom synthesis services for dimethoxy[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.