methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate
TL;DR: methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate (CAS 708285-99-8) is a chemical compound with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate
Also Known As: methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate, methyl [4-({[4-(3-hydroxyphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate, methyl [4-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate, methyl 2-[4-({[4-(3-hydroxyphenyl)piperazinyl]thioxomethyl}amino)phenyl]acetat e, methyl 2-[4-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate
| Molecular Formula | C20H23N3O3S |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 2.6267 |
| Topological Polar Surface Area | 65.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.14603 |
| Heavy Atoms | 27 |
| Complexity | 802.37415 |
Chemical Identifiers
| CAS Number | 708285-99-8 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O |
Product Overview
methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate (CAS 708285-99-8), with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol. IUPAC: methyl 2-[4-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate.
Chemical Property Profile of methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate
Property Insights of methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate
The XLogP value of 2.6267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate. The TPSA of 65.04 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate. Following Lipinski's Rule of Five, methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate has 2 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-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate?
The CAS number of methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate is 708285-99-8.
What is the molecular formula of methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate?
The molecular formula of methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate is C20H23N3O3S.
What is the molecular weight of methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate?
The molecular weight of methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate is 385.15 g/mol.
Where can I buy methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate?
You can request a quote for methyl 2-(4-(4-(3-hydroxyphenyl)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-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.