4-cyanophenyl N,N-dimethylsulfamate
TL;DR: 4-cyanophenyl N,N-dimethylsulfamate (CAS 164648-93-5) is a chemical compound with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) N,N-dimethylsulfamate
Also Known As: 4-cyanophenyl N,N-dimethylsulfamate, Maybridge1_007571, (4-cyanophenyl) N,N-dimethylsulfamate, 4-Cyanophenyl dimethylsulfamate, 4-Cyanophenyl-N,N-dimethylsulfamate
| Molecular Formula | C9H10N2O3S |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 0.74348 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.04121 |
| Heavy Atoms | 15 |
| Complexity | 471.07407 |
Chemical Identifiers
| CAS Number | 164648-93-5 |
|---|---|
| SMILES | CN(C)S(=O)(=O)OC1=CC=C(C=C1)C#N |
Product Overview
4-cyanophenyl N,N-dimethylsulfamate (CAS 164648-93-5), with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol. IUPAC: (4-cyanophenyl) N,N-dimethylsulfamate.
Chemical Property Profile of 4-cyanophenyl N,N-dimethylsulfamate
Property Insights of 4-cyanophenyl N,N-dimethylsulfamate
The XLogP value of 0.74348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyanophenyl N,N-dimethylsulfamate. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyanophenyl N,N-dimethylsulfamate. Following Lipinski's Rule of Five, 4-cyanophenyl N,N-dimethylsulfamate has 0 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 4-cyanophenyl N,N-dimethylsulfamate?
The CAS number of 4-cyanophenyl N,N-dimethylsulfamate is 164648-93-5.
What is the molecular formula of 4-cyanophenyl N,N-dimethylsulfamate?
The molecular formula of 4-cyanophenyl N,N-dimethylsulfamate is C9H10N2O3S.
What is the molecular weight of 4-cyanophenyl N,N-dimethylsulfamate?
The molecular weight of 4-cyanophenyl N,N-dimethylsulfamate is 226.04 g/mol.
Where can I buy 4-cyanophenyl N,N-dimethylsulfamate?
You can request a quote for 4-cyanophenyl N,N-dimethylsulfamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyanophenyl N,N-dimethylsulfamate?
Yes, KEHONG BIO provides custom synthesis services for 4-cyanophenyl N,N-dimethylsulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.