![ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate structure](/static/products/351/351385-65-4.png)
ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
TL;DR: ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CAS 351385-65-4) is a chemical compound with molecular formula C21H25N3O3S2 and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzoylcarbamothioylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 2-(benzoylcarbamothioylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate, ethyl 2-{[(phenylcarbonyl)carbamothioyl]amino}-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C21H25N3O3S2 |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 3.8181 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.13373 |
| Heavy Atoms | 29 |
| Complexity | 909.3952 |
Chemical Identifiers
| CAS Number | 351385-65-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(C)C)NC(=S)NC(=O)C3=CC=CC=C3 |
Product Overview
ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CAS 351385-65-4), with molecular formula C21H25N3O3S2 and molecular weight 431.13 g/mol. IUPAC: ethyl 2-(benzoylcarbamothioylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Property Insights of ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
The XLogP value of 3.8181 indicates that ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate has 2 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 ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The CAS number of ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is 351385-65-4.
What is the molecular formula of ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The molecular formula of ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is C21H25N3O3S2.
What is the molecular weight of ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The molecular weight of ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is 431.13 g/mol.
Where can I buy ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
You can request a quote for ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-benzoylthioureido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.