Diallyl (4-chloro-1,2-phenylene)dicarbamate
TL;DR: Diallyl (4-chloro-1,2-phenylene)dicarbamate (CAS 372155-92-5) is a chemical compound with molecular formula C14H15ClN2O4 and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N-[4-chloro-2-(prop-2-enoxycarbonylamino)phenyl]carbamate
Also Known As: diallyl (4-chloro-1,2-phenylene)dicarbamate, diprop-2-en-1-yl (4-chlorobenzene-1,2-diyl)biscarbamate, prop-2-enyl N-[4-chloro-2-(prop-2-enoxycarbonylamino)phenyl]carbamate, REGID_for_CID_658619
| Molecular Formula | C14H15ClN2O4 |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.07202 |
| Heavy Atoms | 21 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 372155-92-5 |
|---|---|
| SMILES | C=CCOC(=O)NC1=C(C=C(C=C1)Cl)NC(=O)OCC=C |
| InChIKey | WNVUMEJBPOKQED-UHFFFAOYSA-N |
Product Overview
Diallyl (4-chloro-1,2-phenylene)dicarbamate (CAS 372155-92-5), with molecular formula C14H15ClN2O4 and molecular weight 310.07 g/mol. IUPAC: prop-2-enyl N-[4-chloro-2-(prop-2-enoxycarbonylamino)phenyl]carbamate.
Chemical Property Profile of Diallyl (4-chloro-1,2-phenylene)dicarbamate
Property Insights of Diallyl (4-chloro-1,2-phenylene)dicarbamate
The XLogP value of 3.0 indicates that Diallyl (4-chloro-1,2-phenylene)dicarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diallyl (4-chloro-1,2-phenylene)dicarbamate. Following Lipinski's Rule of Five, Diallyl (4-chloro-1,2-phenylene)dicarbamate has 2 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 Diallyl (4-chloro-1,2-phenylene)dicarbamate?
The CAS number of Diallyl (4-chloro-1,2-phenylene)dicarbamate is 372155-92-5.
What is the molecular formula of Diallyl (4-chloro-1,2-phenylene)dicarbamate?
The molecular formula of Diallyl (4-chloro-1,2-phenylene)dicarbamate is C14H15ClN2O4.
What is the molecular weight of Diallyl (4-chloro-1,2-phenylene)dicarbamate?
The molecular weight of Diallyl (4-chloro-1,2-phenylene)dicarbamate is 310.07 g/mol.
Where can I buy Diallyl (4-chloro-1,2-phenylene)dicarbamate?
You can request a quote for Diallyl (4-chloro-1,2-phenylene)dicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl (4-chloro-1,2-phenylene)dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for Diallyl (4-chloro-1,2-phenylene)dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.