![11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one structure](/static/products/7353/735322-59-5.webp)
11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one
TL;DR: 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one (CAS 735322-59-5) is a chemical compound with molecular formula C19H20N2O3S2 and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[2-(3,4-dimethoxyphenyl)ethyl]-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
Also Known As: 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-mercapto-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 11-[2-(3,4-dimethoxyphenyl)ethyl]-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one, 3-(3,4-Dimethoxyphenethyl)-2-mercapto-3,5,6,7-tetrahydro-4h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 11-[2-(3,4-dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C19H20N2O3S2 |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 3.86919 |
| Topological Polar Surface Area | 56.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.09152 |
| Heavy Atoms | 26 |
| Complexity | 1094.5829 |
Chemical Identifiers
| CAS Number | 735322-59-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)C3=C(NC2=S)SC4=C3CCC4)OC |
Product Overview
11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one (CAS 735322-59-5), with molecular formula C19H20N2O3S2 and molecular weight 388.09 g/mol. IUPAC: 11-[2-(3,4-dimethoxyphenyl)ethyl]-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one.
Chemical Property Profile of 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one
Property Insights of 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one
The XLogP value of 3.86919 indicates that 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.25 Ų, 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one has 1 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 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
The CAS number of 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is 735322-59-5.
What is the molecular formula of 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
The molecular formula of 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is C19H20N2O3S2.
What is the molecular weight of 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
The molecular weight of 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is 388.09 g/mol.
Where can I buy 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
You can request a quote for 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
Yes, KEHONG BIO provides custom synthesis services for 11-[2-(3,4-Dimethoxyphenyl)ethyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.