![methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate structure](/static/products/895/895835-07-1.png)
methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate
TL;DR: methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate (CAS 895835-07-1) is a chemical compound with molecular formula C19H22N4O2S and molecular weight 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate
Also Known As: methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate, 4-[[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester, methyl 4-(3-(2-(pyridin-3-yl)piperidin-1-yl)thioureido)benzoate, methyl 4-({[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}amino)benzoate, 4-[3-(3,4,5,6-Tetrahydro-2H-[2,3']bipyridinyl-1-yl)-thioureido]-benzoic acid methyl ester
| Molecular Formula | C19H22N4O2S |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 3.2968 |
| Topological Polar Surface Area | 66.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.14636 |
| Heavy Atoms | 26 |
| Complexity | 751.8942 |
Chemical Identifiers
| CAS Number | 895835-07-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NN2CCCCC2C3=CN=CC=C3 |
Product Overview
methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate (CAS 895835-07-1), with molecular formula C19H22N4O2S and molecular weight 370.15 g/mol. IUPAC: methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate.
Chemical Property Profile of methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate
Property Insights of methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate
The XLogP value of 3.2968 indicates that methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.49 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate 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 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate?
The CAS number of methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate is 895835-07-1.
What is the molecular formula of methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate?
The molecular formula of methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate is C19H22N4O2S.
What is the molecular weight of methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate?
The molecular weight of methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate is 370.15 g/mol.
Where can I buy methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate?
You can request a quote for methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.