1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate
TL;DR: 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate (CAS 36016-39-4) is a chemical compound with molecular formula C14H21NO5S and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate
Also Known As: tert-Butyl (mesitylsulfonyl)oxycarbamate, N-Boc-O-(mesitylsulfonyl)hydroxylamine, EINECS 252-837-8, tert-butyl(mesitylsulfonyl)oxycarbamate, N-Boc-O-mesitylsulfonyl)hydroxylamine
| Molecular Formula | C14H21NO5S |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.11404 |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 36016-39-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)ONC(=O)OC(C)(C)C)C |
| InChIKey | WVMDSNGINQNHLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate (CAS 36016-39-4), with molecular formula C14H21NO5S and molecular weight 315.11 g/mol. IUPAC: [(2-methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate
Property Insights of 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate
The XLogP value of 3.2 indicates that 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate. Following Lipinski's Rule of Five, 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate has 1 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 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate?
The CAS number of 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate is 36016-39-4.
What is the molecular formula of 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate?
The molecular formula of 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate is C14H21NO5S.
What is the molecular weight of 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate?
The molecular weight of 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate is 315.11 g/mol.
Where can I buy 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate?
You can request a quote for 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.