![2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester structure](/static/products/371/371780-64-2.png)
2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester
TL;DR: 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester (CAS 371780-64-2) is a chemical compound with molecular formula C17H24N2O3S2 and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethyl-5-methyl-2-(prop-2-enylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester, ethyl 2-(3-allylthioureido)-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 5-ethyl-5-methyl-2-(prop-2-enylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ethyl 5-ethyl-5-methyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C17H24N2O3S2 |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 3.6386 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.12283 |
| Heavy Atoms | 24 |
| Complexity | 642.0253 |
Chemical Identifiers
| CAS Number | 371780-64-2 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NCC=C)C |
Product Overview
2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester (CAS 371780-64-2), with molecular formula C17H24N2O3S2 and molecular weight 368.12 g/mol. IUPAC: ethyl 5-ethyl-5-methyl-2-(prop-2-enylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester
Property Insights of 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester
The XLogP value of 3.6386 indicates that 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester has 2 hydrogen bond donor(s) and 5 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 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester?
The CAS number of 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester is 371780-64-2.
What is the molecular formula of 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester?
The molecular formula of 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester is C17H24N2O3S2.
What is the molecular weight of 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester?
The molecular weight of 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester is 368.12 g/mol.
Where can I buy 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester?
You can request a quote for 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Allyl-thioureido)-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.