O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate
TL;DR: O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate (CAS 88678-45-9) is a chemical compound with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-tert-butylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamothioate
Also Known As: O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate, 1-(4-tert-butylphenoxy)-N-(6-methoxypyridin-2-yl)-N-methylmethanethioamide, N-(6-methoxypyridin-2-yl)-N-methyl-1-(4-tert-butylphenoxy)methanethioamide, O-(4-tert-Butylphenyl) (6-methoxypyridin-2-yl)(methyl)carbamothioate, N-Methyl-N-(6-methoxy-2-pyridinyl)thiocarbamic acid O-(4-tert-butylphenyl) ester
| Molecular Formula | C18H22N2O2S |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 66.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.1402 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 88678-45-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=S)N(C)C2=NC(=CC=C2)OC |
| InChIKey | UCGYHJKGAVRWTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate (CAS 88678-45-9), with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol. IUPAC: O-(4-tert-butylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamothioate.
Chemical Property Profile of O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate
Property Insights of O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate
The XLogP value of 5.2 indicates that O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate. Following Lipinski's Rule of Five, O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate?
The CAS number of O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate is 88678-45-9.
What is the molecular formula of O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate?
The molecular formula of O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate is C18H22N2O2S.
What is the molecular weight of O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate?
The molecular weight of O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate is 330.14 g/mol.
Where can I buy O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate?
You can request a quote for O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-tert-Butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.