![1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one structure](/static/products/4960/496023-06-4.webp)
1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one
TL;DR: 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one (CAS 496023-06-4) is a chemical compound with molecular formula C21H19N3OS2 and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1H-indol-3-yl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone
Also Known As: 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one, 2-(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-ylthio) )-1-(2-methylindol-3-yl)ethan-1-one
| Molecular Formula | C21H19N3OS2 |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 5.25314 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.09695 |
| Heavy Atoms | 27 |
| Complexity | 1205.3038 |
Chemical Identifiers
| CAS Number | 496023-06-4 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC(=NC4=C3C5=C(S4)CCC5)C |
Product Overview
1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one (CAS 496023-06-4), with molecular formula C21H19N3OS2 and molecular weight 393.10 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one
Property Insights of 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one
The XLogP value of 5.25314 indicates that 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one?
The CAS number of 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one is 496023-06-4.
What is the molecular formula of 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one?
The molecular formula of 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one is C21H19N3OS2.
What is the molecular weight of 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one?
The molecular weight of 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one is 393.10 g/mol.
Where can I buy 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one?
You can request a quote for 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methyl-1H-indol-3-yl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.