Ethyl 3-Amino-2-methylbenzoate
TL;DR: Ethyl 3-Amino-2-methylbenzoate (CAS 57414-85-4) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-2-methylbenzoate
Also Known As: Ethyl 3-Amino-2-methylbenzoate, Ethyl 3-Amino-o-toluate, 3-Amino-o-toluic Acid Ethyl Ester, Ethyl3-Amino-2-methylbenzoate, Ethyl 3-amino-2-methyl-benzoate
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.75392 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 320.70084 |
Chemical Identifiers
| CAS Number | 57414-85-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CC=C1)N)C |
Product Overview
Ethyl 3-Amino-2-methylbenzoate (CAS 57414-85-4), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: ethyl 3-amino-2-methylbenzoate.
Chemical Property Profile of Ethyl 3-Amino-2-methylbenzoate
Property Insights of Ethyl 3-Amino-2-methylbenzoate
The XLogP value of 1.75392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-Amino-2-methylbenzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl 3-Amino-2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-Amino-2-methylbenzoate 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 Ethyl 3-Amino-2-methylbenzoate?
The CAS number of Ethyl 3-Amino-2-methylbenzoate is 57414-85-4.
What is the molecular formula of Ethyl 3-Amino-2-methylbenzoate?
The molecular formula of Ethyl 3-Amino-2-methylbenzoate is C10H13NO2.
What is the molecular weight of Ethyl 3-Amino-2-methylbenzoate?
The molecular weight of Ethyl 3-Amino-2-methylbenzoate is 179.09 g/mol.
Where can I buy Ethyl 3-Amino-2-methylbenzoate?
You can request a quote for Ethyl 3-Amino-2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-Amino-2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-Amino-2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.