![Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate structure](/static/products/7082/708285-50-1.webp)
Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate
TL;DR: Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate (CAS 708285-50-1) is a chemical compound with molecular formula C18H27N3O2S and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]benzoate
Also Known As: methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate, methyl 4-(3-(2,2,6,6-tetramethylpiperidin-4-yl)thioureido)benzoate, methyl 4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]benzoate, methyl 4-({[(2,2,6,6-tetramethyl-4-piperidinyl)amino]carbonothioyl}amino)benzoate
| Molecular Formula | C18H27N3O2S |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 3.0688 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.1824 |
| Heavy Atoms | 24 |
| Complexity | 595.1948 |
Chemical Identifiers
| CAS Number | 708285-50-1 |
|---|---|
| SMILES | CC1(CC(CC(N1)(C)C)NC(=S)NC2=CC=C(C=C2)C(=O)OC)C |
Product Overview
Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate (CAS 708285-50-1), with molecular formula C18H27N3O2S and molecular weight 349.18 g/mol. IUPAC: methyl 4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate
Property Insights of Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate
The XLogP value of 3.0688 indicates that Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate has 3 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 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate?
The CAS number of Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate is 708285-50-1.
What is the molecular formula of Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate?
The molecular formula of Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate is C18H27N3O2S.
What is the molecular weight of Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate?
The molecular weight of Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate is 349.18 g/mol.
Where can I buy Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate?
You can request a quote for Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}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-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.