4-Aminophenyl dimethylsulphamate
TL;DR: 4-Aminophenyl dimethylsulphamate (CAS 77264-80-3) is a chemical compound with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-aminophenyl) N,N-dimethylsulfamate
Also Known As: 4-Aminophenyl dimethylsulphamate, 4-aminophenyl dimethylsulfamate, (4-aminophenyl) N,N-dimethylsulfamate, Dimethylsulfamic acid 4-aminophenyl ester, 4-AMINOPHENYL N,N-DIMETHYLSULFAMATE
| Molecular Formula | C8H12N2O3S |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.05687 |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 77264-80-3 |
|---|---|
| SMILES | CN(C)S(=O)(=O)OC1=CC=C(C=C1)N |
| InChIKey | JBPPQVHLEGWBTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Aminophenyl dimethylsulphamate (CAS 77264-80-3), with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol. IUPAC: (4-aminophenyl) N,N-dimethylsulfamate.
Chemical Property Profile of 4-Aminophenyl dimethylsulphamate
Property Insights of 4-Aminophenyl dimethylsulphamate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminophenyl dimethylsulphamate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Aminophenyl dimethylsulphamate. Following Lipinski's Rule of Five, 4-Aminophenyl dimethylsulphamate 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 4-Aminophenyl dimethylsulphamate?
The CAS number of 4-Aminophenyl dimethylsulphamate is 77264-80-3.
What is the molecular formula of 4-Aminophenyl dimethylsulphamate?
The molecular formula of 4-Aminophenyl dimethylsulphamate is C8H12N2O3S.
What is the molecular weight of 4-Aminophenyl dimethylsulphamate?
The molecular weight of 4-Aminophenyl dimethylsulphamate is 216.06 g/mol.
Where can I buy 4-Aminophenyl dimethylsulphamate?
You can request a quote for 4-Aminophenyl dimethylsulphamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminophenyl dimethylsulphamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminophenyl dimethylsulphamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.