}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e structure](/static/products/7082/708214-83-9.webp)
methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e
TL;DR: methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e (CAS 708214-83-9) is a chemical compound with molecular formula C23H26ClFN4O3S2 and molecular weight 524.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[[1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carbonyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e, methyl 2-(2-(1-(2-chloro-4-fluorobenzyl)piperidine-4-carbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[[1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carbonyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[(2-{[1-(2-chloro-4-fluorobenzyl)piperidin-4-yl]carbonyl}hydrazinyl)carbonothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C23H26ClFN4O3S2 |
|---|---|
| Molecular Weight | 524.11 g/mol |
| LogP | 4.0457 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.1119 |
| Heavy Atoms | 34 |
| Complexity | 1102.1246 |
Chemical Identifiers
| CAS Number | 708214-83-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3CCN(CC3)CC4=C(C=C(C=C4)F)Cl |
Product Overview
methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e (CAS 708214-83-9), with molecular formula C23H26ClFN4O3S2 and molecular weight 524.11 g/mol. IUPAC: methyl 2-[[[1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carbonyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e
Property Insights of methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e
The XLogP value of 4.0457 indicates that methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e. Following Lipinski's Rule of Five, methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e has 3 hydrogen bond donor(s) and 6 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-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e?
The CAS number of methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e is 708214-83-9.
What is the molecular formula of methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e?
The molecular formula of methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e is C23H26ClFN4O3S2.
What is the molecular weight of methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e?
The molecular weight of methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e is 524.11 g/mol.
Where can I buy methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e?
You can request a quote for methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[({1-[(2-chloro-4-fluorophenyl)methyl](4-piperidyl)}carbonylamino)a mino]thioxomethyl}amino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylat e and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.