Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate
TL;DR: Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate (CAS 59686-39-4) is a chemical compound with molecular formula C14H18ClNO2 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-4-methyl-6-pyrrolidin-1-ylbenzoate
Also Known As: Et-Cmpb, Maybridge1_002843, DivK1c_001595, Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate, CDS1_000555
| Molecular Formula | C14H18ClNO2 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 3.42532 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.1026 |
| Heavy Atoms | 18 |
| Complexity | 453.35236 |
Chemical Identifiers
| CAS Number | 59686-39-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1Cl)C)N2CCCC2 |
Product Overview
Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate (CAS 59686-39-4), with molecular formula C14H18ClNO2 and molecular weight 267.10 g/mol. IUPAC: ethyl 2-chloro-4-methyl-6-pyrrolidin-1-ylbenzoate.
Chemical Property Profile of Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate
Property Insights of Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate
The XLogP value of 3.42532 indicates that Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate has 0 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 Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate?
The CAS number of Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate is 59686-39-4.
What is the molecular formula of Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate?
The molecular formula of Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate is C14H18ClNO2.
What is the molecular weight of Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate?
The molecular weight of Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate is 267.10 g/mol.
Where can I buy Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate?
You can request a quote for Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.