![ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate structure](/static/products/861/861122-65-8.png)
ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate
TL;DR: ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate (CAS 861122-65-8) is a chemical compound with molecular formula C19H23N3O3S2 and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 12,12-dimethyl-6-(prop-2-enylcarbamothioylamino)-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxylate
Also Known As: ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate, ethyl 7,7-dimethyl-3-[(prop-2-en-1-ylcarbamothioyl)amino]-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate
| Molecular Formula | C19H23N3O3S2 |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 3.7967 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.11807 |
| Heavy Atoms | 27 |
| Complexity | 905.2272 |
Chemical Identifiers
| CAS Number | 861122-65-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C3CC(OCC3=C2)(C)C)NC(=S)NCC=C |
Product Overview
ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate (CAS 861122-65-8), with molecular formula C19H23N3O3S2 and molecular weight 405.12 g/mol. IUPAC: ethyl 12,12-dimethyl-6-(prop-2-enylcarbamothioylamino)-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxylate.
Chemical Property Profile of ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate
Property Insights of ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate
The XLogP value of 3.7967 indicates that ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-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 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate?
The CAS number of ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate is 861122-65-8.
What is the molecular formula of ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate?
The molecular formula of ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate is C19H23N3O3S2.
What is the molecular weight of ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate?
The molecular weight of ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate is 405.12 g/mol.
Where can I buy ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate?
You can request a quote for ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]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 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.