O-(4-tert-butylphenyl) morpholine-4-carbothioate
TL;DR: O-(4-tert-butylphenyl) morpholine-4-carbothioate (CAS 13522-33-3) is a chemical compound with molecular formula C15H21NO2S and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-tert-butylphenyl) morpholine-4-carbothioate
Also Known As: O-(4-tert-butylphenyl) morpholine-4-carbothioate
| Molecular Formula | C15H21NO2S |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.1293 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 13522-33-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=S)N2CCOCC2 |
| InChIKey | MOBJCYPHWFDSRS-UHFFFAOYSA-N |
Product Overview
O-(4-tert-butylphenyl) morpholine-4-carbothioate (CAS 13522-33-3), with molecular formula C15H21NO2S and molecular weight 279.13 g/mol. IUPAC: O-(4-tert-butylphenyl) morpholine-4-carbothioate.
Chemical Property Profile of O-(4-tert-butylphenyl) morpholine-4-carbothioate
Property Insights of O-(4-tert-butylphenyl) morpholine-4-carbothioate
The XLogP value of 3.6 indicates that O-(4-tert-butylphenyl) morpholine-4-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, O-(4-tert-butylphenyl) morpholine-4-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(4-tert-butylphenyl) morpholine-4-carbothioate has 0 hydrogen bond donor(s) and 3 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 O-(4-tert-butylphenyl) morpholine-4-carbothioate?
The CAS number of O-(4-tert-butylphenyl) morpholine-4-carbothioate is 13522-33-3.
What is the molecular formula of O-(4-tert-butylphenyl) morpholine-4-carbothioate?
The molecular formula of O-(4-tert-butylphenyl) morpholine-4-carbothioate is C15H21NO2S.
What is the molecular weight of O-(4-tert-butylphenyl) morpholine-4-carbothioate?
The molecular weight of O-(4-tert-butylphenyl) morpholine-4-carbothioate is 279.13 g/mol.
Where can I buy O-(4-tert-butylphenyl) morpholine-4-carbothioate?
You can request a quote for O-(4-tert-butylphenyl) morpholine-4-carbothioate 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) morpholine-4-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-tert-butylphenyl) morpholine-4-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.