![ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/1240/124009-46-7.webp)
ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 124009-46-7) is a chemical compound with molecular formula C14H18N2O2S2 and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(prop-2-enylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00338237, AB00086052-01, ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, 2-(3-ALLYL-THIOUREIDO)-4H-CYCLOPENTA(B)THIOPHENE-3-CARBOXYLIC ACID ET ESTER, ethyl 2-(prop-2-enylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C14H18N2O2S2 |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 2.8859 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.08096 |
| Heavy Atoms | 20 |
| Complexity | 537.52136 |
Chemical Identifiers
| CAS Number | 124009-46-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC=C |
Product Overview
ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 124009-46-7), with molecular formula C14H18N2O2S2 and molecular weight 310.08 g/mol. IUPAC: ethyl 2-(prop-2-enylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 2.8859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. With a topological polar surface area (TPSA) of 50.36 Ų, ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 4 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-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 124009-46-7.
What is the molecular formula of ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C14H18N2O2S2.
What is the molecular weight of ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 310.08 g/mol.
Where can I buy ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-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-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-allylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.