![ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate structure](/static/products/3805/380545-99-3.webp)
ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
TL;DR: ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate (CAS 380545-99-3) 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-propan-2-yl-2-(prop-2-enylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
Also Known As: ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, ethyl 5-propan-2-yl-2-(prop-2-enylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-(3-allylthioureido)-5-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-{[(allylamino)carbonothioyl]amino}-5-isopropyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, REGID_for_CID_2936373
| Molecular Formula | C17H24N2O3S2 |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 3.4945 |
| 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 | 625.597 |
Chemical Identifiers
| CAS Number | 380545-99-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NCC=C |
Product Overview
ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate (CAS 380545-99-3), with molecular formula C17H24N2O3S2 and molecular weight 368.12 g/mol. IUPAC: ethyl 5-propan-2-yl-2-(prop-2-enylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Property Insights of ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
The XLogP value of 3.4945 indicates that ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-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 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-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 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate?
The CAS number of ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate is 380545-99-3.
What is the molecular formula of ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate?
The molecular formula of ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate is C17H24N2O3S2.
What is the molecular weight of ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate?
The molecular weight of ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate is 368.12 g/mol.
Where can I buy ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate?
You can request a quote for ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-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 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(propan-2-yl)-2-[(prop-2-en-1-ylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.