![10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one structure](/static/products/5497/5497-37-0.webp)
10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
TL;DR: 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (CAS 5497-37-0) is a chemical compound with molecular formula C26H24N2O3S2 and molecular weight 476.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 2-{[(5-Acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-benzyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C26H24N2O3S2 |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 5.4985 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.12283 |
| Heavy Atoms | 33 |
| Complexity | 1406.8223 |
Chemical Identifiers
| CAS Number | 5497-37-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC5=CC=CC=C5 |
Product Overview
10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (CAS 5497-37-0), with molecular formula C26H24N2O3S2 and molecular weight 476.12 g/mol. IUPAC: 10-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Property Insights of 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
The XLogP value of 5.4985 indicates that 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one. Following Lipinski's Rule of Five, 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The CAS number of 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is 5497-37-0.
What is the molecular formula of 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The molecular formula of 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is C26H24N2O3S2.
What is the molecular weight of 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The molecular weight of 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is 476.12 g/mol.
Where can I buy 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
You can request a quote for 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]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 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
Yes, KEHONG BIO provides custom synthesis services for 10-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-11-benzyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.