Methyl 2-(2-chloroprop-2-enylamino)benzoate
TL;DR: Methyl 2-(2-chloroprop-2-enylamino)benzoate (CAS 29247-78-7) is a chemical compound with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-chloroprop-2-enylamino)benzoate
Also Known As: methyl 2-(2-chloroprop-2-enylamino)benzoate, Methyl 2-[(2-chloroprop-2-en-1-yl)amino]benzoate, RefChem:353794
| Molecular Formula | C11H12ClNO2 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.05565 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 29247-78-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NCC(=C)Cl |
| InChIKey | NSRRGDLQZIAMAJ-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2-chloroprop-2-enylamino)benzoate (CAS 29247-78-7), with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol. IUPAC: methyl 2-(2-chloroprop-2-enylamino)benzoate.
Chemical Property Profile of Methyl 2-(2-chloroprop-2-enylamino)benzoate
Property Insights of Methyl 2-(2-chloroprop-2-enylamino)benzoate
The XLogP value of 3.4 indicates that Methyl 2-(2-chloroprop-2-enylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 2-(2-chloroprop-2-enylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2-chloroprop-2-enylamino)benzoate 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 Methyl 2-(2-chloroprop-2-enylamino)benzoate?
The CAS number of Methyl 2-(2-chloroprop-2-enylamino)benzoate is 29247-78-7.
What is the molecular formula of Methyl 2-(2-chloroprop-2-enylamino)benzoate?
The molecular formula of Methyl 2-(2-chloroprop-2-enylamino)benzoate is C11H12ClNO2.
What is the molecular weight of Methyl 2-(2-chloroprop-2-enylamino)benzoate?
The molecular weight of Methyl 2-(2-chloroprop-2-enylamino)benzoate is 225.06 g/mol.
Where can I buy Methyl 2-(2-chloroprop-2-enylamino)benzoate?
You can request a quote for Methyl 2-(2-chloroprop-2-enylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-chloroprop-2-enylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-chloroprop-2-enylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.