![methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/7082/708229-25-8.webp)
methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 708229-25-8) is a chemical compound with molecular formula C27H29N3O2S2 and molecular weight 491.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)-4,5,6-trihydrocy clopenta[2,1-b]thiophene-3-carboxylate, methyl 2-(4-benzhydrylpiperazine-1-carbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C27H29N3O2S2 |
|---|---|
| Molecular Weight | 491.17 g/mol |
| LogP | 5.1274 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.1701 |
| Heavy Atoms | 34 |
| Complexity | 1115.8782 |
Chemical Identifiers
| CAS Number | 708229-25-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 708229-25-8), with molecular formula C27H29N3O2S2 and molecular weight 491.17 g/mol. IUPAC: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 5.1274 indicates that methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-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, methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 1 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-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 708229-25-8.
What is the molecular formula of methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C27H29N3O2S2.
What is the molecular weight of methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 491.17 g/mol.
Where can I buy methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-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 methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.