Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate
TL;DR: Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate (CAS 831233-34-2) is a chemical compound with molecular formula C17H24N2O5S and molecular weight 368.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]-4,5-dimethoxybenzoate
Also Known As: methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate, methyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)-4,5-dimethoxybenzoate, methyl 2-({[3-(hydroxymethyl)piperidin-1-yl]carbonothioyl}amino)-4,5-dimethoxybenzoate, methyl 2-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]-4,5-dimethoxybenzoate
| Molecular Formula | C17H24N2O5S |
|---|---|
| Molecular Weight | 368.14 g/mol |
| LogP | 1.8915 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.1406 |
| Heavy Atoms | 25 |
| Complexity | 637.70935 |
Chemical Identifiers
| CAS Number | 831233-34-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCC(C2)CO)OC |
Product Overview
Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate (CAS 831233-34-2), with molecular formula C17H24N2O5S and molecular weight 368.14 g/mol. IUPAC: methyl 2-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate
Property Insights of Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate
The XLogP value of 1.8915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate has 2 hydrogen bond donor(s) and 6 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-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate?
The CAS number of Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate is 831233-34-2.
What is the molecular formula of Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate?
The molecular formula of Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate is C17H24N2O5S.
What is the molecular weight of Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate?
The molecular weight of Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate is 368.14 g/mol.
Where can I buy Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate?
You can request a quote for Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.