Methyl 4-amino-3-chloro-5-methylbenzoate
TL;DR: Methyl 4-amino-3-chloro-5-methylbenzoate (CAS 202146-16-5) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-amino-3-chloro-5-methylbenzoate
Also Known As: methyl 4-amino-3-chloro-5-methylbenzoate, Benzoic acid, 4-amino-3-chloro-5-methyl-, methyl ester, Methyl 4-amino-3-chloro-5-methyl-benzoate, methyl4-amino-3-chloro-5-methylbenzoate, methyl 4-amino-5-chloro-3-methylbenzoate
Technical Specifications
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.04001 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.04001 Da |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
| SMILES | CC1=CC(=CC(=C1N)Cl)C(=O)OC |
| InChIKey | SDBXHTMFAXKDML-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-amino-3-chloro-5-methylbenzoate
Property Insights of Methyl 4-amino-3-chloro-5-methylbenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-3-chloro-5-methylbenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 4-amino-3-chloro-5-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-3-chloro-5-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
What is the CAS number of Methyl 4-amino-3-chloro-5-methylbenzoate?
The CAS number of Methyl 4-amino-3-chloro-5-methylbenzoate is 202146-16-5.
What is the molecular formula of Methyl 4-amino-3-chloro-5-methylbenzoate?
The molecular formula of Methyl 4-amino-3-chloro-5-methylbenzoate is C9H10ClNO2.
What is the molecular weight of Methyl 4-amino-3-chloro-5-methylbenzoate?
The molecular weight of Methyl 4-amino-3-chloro-5-methylbenzoate is 199.04001 g/mol.
Where can I buy Methyl 4-amino-3-chloro-5-methylbenzoate?
You can request a quote for Methyl 4-amino-3-chloro-5-methylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-amino-3-chloro-5-methylbenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-amino-3-chloro-5-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.