![ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate structure](/static/products/578/578747-88-3.png)
ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
TL;DR: ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate (CAS 578747-88-3) is a chemical compound with molecular formula C29H27N3O4S2 and molecular weight 545.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzoylcarbamothioylamino)-12,12-dimethyl-8-phenyl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylate
Also Known As: ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate, ethyl 8,8-dimethyl-5-phenyl-1-{[(phenylcarbonyl)carbamothioyl]amino}-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
| Molecular Formula | C29H27N3O4S2 |
|---|---|
| Molecular Weight | 545.14 g/mol |
| LogP | 6.1181 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 545.1443 |
| Heavy Atoms | 38 |
| Complexity | 1532.2218 |
Chemical Identifiers
| CAS Number | 578747-88-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(C3=C2CC(OC3)(C)C)C4=CC=CC=C4)NC(=S)NC(=O)C5=CC=CC=C5 |
Product Overview
ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate (CAS 578747-88-3), with molecular formula C29H27N3O4S2 and molecular weight 545.14 g/mol. IUPAC: ethyl 3-(benzoylcarbamothioylamino)-12,12-dimethyl-8-phenyl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylate.
Chemical Property Profile of ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
Property Insights of ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
The XLogP value of 6.1181 indicates that ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate has 2 hydrogen bond donor(s) and 7 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)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate?
The CAS number of ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate is 578747-88-3.
What is the molecular formula of ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate?
The molecular formula of ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate is C29H27N3O4S2.
What is the molecular weight of ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate?
The molecular weight of ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate is 545.14 g/mol.
Where can I buy ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate?
You can request a quote for ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-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)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(3-benzoylthioureido)-8,8-dimethyl-5-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.