![11-(3-Methoxyphenyl)-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/3804/380436-97-5.webp)
11-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one (CAS 380436-97-5) is a chemical compound with molecular formula C16H14N2O2S2 and molecular weight 330.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3-methoxyphenyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
Also Known As: 11-(3-Methoxyphenyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one, 6-Mercapto-5-(3-methoxy-phenyl)-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one, 1,2,3,5,6,7-Hexahydro-3-(3-methoxyphenyl)-2-thioxo-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 11-(3-methoxyphenyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one, 11-(3-methoxyphenyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.0(2),?]dodeca-1(8),2(6)-dien-12-one
| Molecular Formula | C16H14N2O2S2 |
|---|---|
| Molecular Weight | 330.05 g/mol |
| LogP | 3.60709 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.04968 |
| Heavy Atoms | 22 |
| Complexity | 997.52893 |
Chemical Identifiers
| CAS Number | 380436-97-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCC4 |
Product Overview
11-(3-Methoxyphenyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one (CAS 380436-97-5), with molecular formula C16H14N2O2S2 and molecular weight 330.05 g/mol. IUPAC: 11-(3-methoxyphenyl)-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-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-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 3.60709 indicates that 11-(3-Methoxyphenyl)-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 47.02 Ų, 11-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-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 4 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-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is 380436-97-5.
What is the molecular formula of 11-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is C16H14N2O2S2.
What is the molecular weight of 11-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is 330.05 g/mol.
Where can I buy 11-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-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.