![10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one structure](/static/products/4960/496027-18-0.webp)
10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
TL;DR: 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (CAS 496027-18-0) is a chemical compound with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H21N3O2S2 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 3.6504 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1075 |
| Heavy Atoms | 28 |
| Complexity | 1098.2765 |
Chemical Identifiers
| CAS Number | 496027-18-0 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (CAS 496027-18-0), with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol. IUPAC: 10-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Property Insights of 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
The XLogP value of 3.6504 indicates that 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-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. With a topological polar surface area (TPSA) of 55.2 Ų, 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]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, 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-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 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 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The CAS number of 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is 496027-18-0.
What is the molecular formula of 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The molecular formula of 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is C21H21N3O2S2.
What is the molecular weight of 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The molecular weight of 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is 411.11 g/mol.
Where can I buy 10-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-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-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-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-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-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-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-phenyl-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.