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Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate
TL;DR: Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate (CAS 516457-87-7) is a chemical compound with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]phenyl]acetate
Also Known As: methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate, Methyl 2-[4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]phenyl]acetate, methyl 2-(4-(4-benzhydrylpiperazine-1-carbothioamido)phenyl)acetate, methyl [4-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate, METHYL 2-(4-{[(4-BENZHYDRYLPIPERAZINO)CARBOTHIOYL]AMINO}PHENYL)ACETATE
| Molecular Formula | C27H29N3O2S |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 4.5061 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.19806 |
| Heavy Atoms | 33 |
| Complexity | 1010.24414 |
Chemical Identifiers
| CAS Number | 516457-87-7 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate (CAS 516457-87-7), with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol. IUPAC: methyl 2-[4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]phenyl]acetate.
Chemical Property Profile of Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate
Property Insights of Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate
The XLogP value of 4.5061 indicates that Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate 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-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate 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 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate?
The CAS number of Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate is 516457-87-7.
What is the molecular formula of Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate?
The molecular formula of Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate is C27H29N3O2S.
What is the molecular weight of Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate?
The molecular weight of Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate is 459.20 g/mol.
Where can I buy Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate?
You can request a quote for Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate 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-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.