Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13
TL;DR: Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13 (CAS 69776-36-9) is a chemical compound with molecular formula C21H20INO4 and molecular weight 477.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17,18-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaene iodide
Also Known As: Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13, 5,6-Dihydro-10,11-dimethoxy-13-methylbenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium iodide, 2,3-Methylenedioxy-10,11-dimethoxy-13-methylprotoberberine iodide, Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-10,11-dimethoxy-13-methyl-, iodide, 2,3-methylenedioxy-10,11-dimethoxy-13-methylprotoberberine i
| Molecular Formula | C21H20INO4 |
|---|---|
| Molecular Weight | 477.04 g/mol |
| LogP | 0.40872 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 477.0437 |
| Heavy Atoms | 27 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 69776-36-9 |
|---|---|
| SMILES | CC1=C2C3=CC4=C(C=C3CC[N+]2=CC5=CC(=C(C=C15)OC)OC)OCO4.[I-] |
| InChIKey | NAAROFZUAGWEQH-UHFFFAOYSA-M |
Product Overview
Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13 (CAS 69776-36-9), with molecular formula C21H20INO4 and molecular weight 477.04 g/mol. IUPAC: 17,18-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaene iodide.
Chemical Property Profile of Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13
Property Insights of Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13
The XLogP value of 0.40872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13. With a topological polar surface area (TPSA) of 40.8 Ų, Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13 has 0 hydrogen bond donor(s) and 5 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 Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13?
The CAS number of Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13 is 69776-36-9.
What is the molecular formula of Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13?
The molecular formula of Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13 is C21H20INO4.
What is the molecular weight of Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13?
The molecular weight of Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13 is 477.04 g/mol.
Where can I buy Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13?
You can request a quote for Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13?
Yes, KEHONG BIO provides custom synthesis services for Cc1c2cc(OC)c(OC)cc2cn3CCc4cc5OCOc5cc4c13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.