![methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate structure](/static/products/7012/701286-06-8.webp)
methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
TL;DR: methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 701286-06-8) is a chemical compound with molecular formula C25H31N3O3S2 and molecular weight 485.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-(3-(4-(piperidine-1-carbonyl)phenyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-[({[4-(piperidylcarbonyl)phenyl]amino}thioxomethyl)amino]-4,5,6,7,8,9 -hexahydrocycloocta[2,1-b]thiophene-3-carboxylate, methyl 2-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C25H31N3O3S2 |
|---|---|
| Molecular Weight | 485.18 g/mol |
| LogP | 5.6287 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.1807 |
| Heavy Atoms | 33 |
| Complexity | 1010.64966 |
Chemical Identifiers
| CAS Number | 701286-06-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCCC4 |
Product Overview
methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 701286-06-8), with molecular formula C25H31N3O3S2 and molecular weight 485.18 g/mol. IUPAC: methyl 2-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Property Insights of methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
The XLogP value of 5.6287 indicates that methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is 701286-06-8.
What is the molecular formula of methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is C25H31N3O3S2.
What is the molecular weight of methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is 485.18 g/mol.
Where can I buy methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[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 methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[4-(piperidin-1-ylcarbonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.