![ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE structure](/static/products/6772/677293-97-9.webp)
ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE
TL;DR: ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE (CAS 677293-97-9) is a chemical compound with molecular formula C20H19ClN2O3S2 and molecular weight 434.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate
Also Known As: ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE, isopropyl 2-((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate, methylethyl 2-[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophen-2-ylthio]acetate, propan-2-yl {[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, propan-2-yl 2-{[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetate
| Molecular Formula | C20H19ClN2O3S2 |
|---|---|
| Molecular Weight | 434.05 g/mol |
| LogP | 4.633 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.05255 |
| Heavy Atoms | 28 |
| Complexity | 1103.3217 |
Chemical Identifiers
| CAS Number | 677293-97-9 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=C(C=C4)Cl |
Product Overview
ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE (CAS 677293-97-9), with molecular formula C20H19ClN2O3S2 and molecular weight 434.05 g/mol. IUPAC: propan-2-yl 2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate.
Chemical Property Profile of ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE
Property Insights of ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE
The XLogP value of 4.633 indicates that ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE 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 ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE. Following Lipinski's Rule of Five, ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE has 0 hydrogen bond donor(s) and 6 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 ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE?
The CAS number of ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE is 677293-97-9.
What is the molecular formula of ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE?
The molecular formula of ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE is C20H19ClN2O3S2.
What is the molecular weight of ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE?
The molecular weight of ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE is 434.05 g/mol.
Where can I buy ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE?
You can request a quote for ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE?
Yes, KEHONG BIO provides custom synthesis services for ISOPROPYL {[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.