![Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate structure](/static/products/911/91131-52-1.png)
Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate
TL;DR: Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate (CAS 91131-52-1) is a chemical compound with molecular formula C11H14ClNO3 and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate
Also Known As: methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate, methyl 4-[(2-chloroethyl)(methyl)amino]-2-hydroxybenzoate, 4-(N-(2-chlorethyl)-N-methyl-amino)-salicylsaeure-methylester
| Molecular Formula | C11H14ClNO3 |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.06622 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 91131-52-1 |
|---|---|
| SMILES | CN(CCCl)C1=CC(=C(C=C1)C(=O)OC)O |
| InChIKey | NWLFIMCTGOHGNE-UHFFFAOYSA-N |
Product Overview
Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate (CAS 91131-52-1), with molecular formula C11H14ClNO3 and molecular weight 243.07 g/mol. IUPAC: methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate.
Chemical Property Profile of Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate
Property Insights of Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate. With a topological polar surface area (TPSA) of 49.8 Ų, Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate has 1 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 Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate?
The CAS number of Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate is 91131-52-1.
What is the molecular formula of Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate?
The molecular formula of Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate is C11H14ClNO3.
What is the molecular weight of Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate?
The molecular weight of Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate is 243.07 g/mol.
Where can I buy Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate?
You can request a quote for Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-chloroethyl(methyl)amino]-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.