![ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate structure](/static/products/4972/497230-92-9.webp)
ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
TL;DR: ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CAS 497230-92-9) is a chemical compound with molecular formula C22H28N2O3S2 and molecular weight 432.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
Also Known As: ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 5-isopropyl-2-({[(2-phenylethyl)amino]carbonothioyl}amino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, 2-[[(2-phenylethylamino)-sulfanylidenemethyl]amino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester, 5-isopropyl-2-(phenethylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester, ethyl 2-(phenethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C22H28N2O3S2 |
|---|---|
| Molecular Weight | 432.15 g/mol |
| LogP | 4.5512 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.15414 |
| Heavy Atoms | 29 |
| Complexity | 849.2423 |
Chemical Identifiers
| CAS Number | 497230-92-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NCCC3=CC=CC=C3 |
Product Overview
ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CAS 497230-92-9), with molecular formula C22H28N2O3S2 and molecular weight 432.15 g/mol. IUPAC: ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
Property Insights of ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
The XLogP value of 4.5512 indicates that ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate 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 ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The CAS number of ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is 497230-92-9.
What is the molecular formula of ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The molecular formula of ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is C22H28N2O3S2.
What is the molecular weight of ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The molecular weight of ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is 432.15 g/mol.
Where can I buy ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
You can request a quote for ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-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-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-phenylethylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.