![ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate structure](/static/products/840/840457-84-3.png)
ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate
TL;DR: ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate (CAS 840457-84-3) is a chemical compound with molecular formula C27H23N3O3S2 and molecular weight 501.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzoylcarbamothioylamino)-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate
Also Known As: ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate, ethyl 5-phenyl-1-{[(phenylcarbonyl)carbamothioyl]amino}-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate
| Molecular Formula | C27H23N3O3S2 |
|---|---|
| Molecular Weight | 501.12 g/mol |
| LogP | 5.7555 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.11807 |
| Heavy Atoms | 35 |
| Complexity | 1432.8412 |
Chemical Identifiers
| CAS Number | 840457-84-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(C3=C2CCC3)C4=CC=CC=C4)NC(=S)NC(=O)C5=CC=CC=C5 |
Product Overview
ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate (CAS 840457-84-3), with molecular formula C27H23N3O3S2 and molecular weight 501.12 g/mol. IUPAC: ethyl 3-(benzoylcarbamothioylamino)-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate.
Chemical Property Profile of ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate
Property Insights of ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate
The XLogP value of 5.7555 indicates that ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate has 2 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 ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate?
The CAS number of ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate is 840457-84-3.
What is the molecular formula of ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate?
The molecular formula of ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate is C27H23N3O3S2.
What is the molecular weight of ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate?
The molecular weight of ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate is 501.12 g/mol.
Where can I buy ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate?
You can request a quote for ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(3-benzoylthioureido)-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.