![3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate structure](/static/products/6622/6622-05-5.webp)
3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate
TL;DR: 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate (CAS 6622-05-5) is a chemical compound with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate
Also Known As: Neostigmine Impurity 6, Neostigmine Impurity 13, Neostigmine Impurity 23, 3-[(dimethylcarbamoyl)amino]phenyl dimethylcarbamate, 3-(3,3-Dimethylureido)phenyl dimethylcarbamate
| Molecular Formula | C12H17N3O3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 1.8405 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.127 |
| Heavy Atoms | 18 |
| Complexity | 406.6987 |
Chemical Identifiers
| CAS Number | 6622-05-5 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC(=CC=C1)OC(=O)N(C)C |
Product Overview
3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate (CAS 6622-05-5), with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol. IUPAC: [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate.
Chemical Property Profile of 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate
Property Insights of 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate
The XLogP value of 1.8405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate. Following Lipinski's Rule of Five, 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate has 1 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 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate?
The CAS number of 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate is 6622-05-5.
What is the molecular formula of 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate?
The molecular formula of 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate is C12H17N3O3.
What is the molecular weight of 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate?
The molecular weight of 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate is 251.13 g/mol.
Where can I buy 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate?
You can request a quote for 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.