methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate
TL;DR: methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate (CAS 516458-00-7) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate
Also Known As: methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate, methyl [4-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate, methyl 2-[4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate, (4-{[4-(4-Methoxy-phenyl)-piperazine-1-carbothioyl]-amino}-phenyl)-acetic acid methyl ester
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 2.9297 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 800.65045 |
Chemical Identifiers
| CAS Number | 516458-00-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)CC(=O)OC |
Product Overview
methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate (CAS 516458-00-7), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: methyl 2-[4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate.
Chemical Property Profile of methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate
Property Insights of methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate
The XLogP value of 2.9297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate. With a topological polar surface area (TPSA) of 54.04 Ų, methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate has 1 hydrogen bond donor(s) and 5 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-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate?
The CAS number of methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate is 516458-00-7.
What is the molecular formula of methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate?
The molecular formula of methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate is C21H25N3O3S.
What is the molecular weight of methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate?
The molecular weight of methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate is 399.16 g/mol.
Where can I buy methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate?
You can request a quote for methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)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-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.