4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate
TL;DR: 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate (CAS 29285-54-9) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2-prop-2-enylphenyl) N,N-dimethylcarbamate
Also Known As: N,N-Dimethylcarbamate, 2-Allyl-4-chlorophenyl dimethylcarbamate, 4-chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate, (4-chloro-2-prop-2-enylphenyl) N,N-dimethylcarbamate, (4-CHLORO-2-PROP-2-ENYL-PHENYL) N,N-DIMETHYLCARBAMATE
| Molecular Formula | C12H14ClNO2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.0713 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 29285-54-9 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(C=C(C=C1)Cl)CC=C |
| InChIKey | HURXEQUUKDZSTL-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate (CAS 29285-54-9), with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol. IUPAC: (4-chloro-2-prop-2-enylphenyl) N,N-dimethylcarbamate.
Chemical Property Profile of 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate
Property Insights of 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate
The XLogP value of 3.4 indicates that 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate has 0 hydrogen bond donor(s) and 2 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-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate?
The CAS number of 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate is 29285-54-9.
What is the molecular formula of 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate?
The molecular formula of 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate is C12H14ClNO2.
What is the molecular weight of 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate?
The molecular weight of 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate is 239.07 g/mol.
Where can I buy 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate?
You can request a quote for 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(prop-2-en-1-yl)phenyl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.