![Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate structure](/static/products/5903/590350-96-2.webp)
Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate
TL;DR: Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate (CAS 590350-96-2) is a chemical compound with molecular formula C17H24N2O2S2 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyrrolidine-1-carbothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate, methyl 2-(pyrrolidine-1-carbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-(pyrrolidine-1-carbothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-[(pyrrolidin-1-ylcarbonothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-[(pyrrolidinylthioxomethyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[2,1- b]thiophene-3-carboxylate
| Molecular Formula | C17H24N2O2S2 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.9863 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.12793 |
| Heavy Atoms | 23 |
| Complexity | 591.659 |
Chemical Identifiers
| CAS Number | 590350-96-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCCC3 |
Product Overview
Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate (CAS 590350-96-2), with molecular formula C17H24N2O2S2 and molecular weight 352.13 g/mol. IUPAC: methyl 2-(pyrrolidine-1-carbothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate
Property Insights of Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate
The XLogP value of 3.9863 indicates that Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate has 1 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 Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate?
The CAS number of Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate is 590350-96-2.
What is the molecular formula of Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate?
The molecular formula of Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate is C17H24N2O2S2.
What is the molecular weight of Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate?
The molecular weight of Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate is 352.13 g/mol.
Where can I buy Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate?
You can request a quote for Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 10-(pyrrolidine-1-carbothioylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.