Methyl 4-amino-2,5-dimethylbenzoate
TL;DR: Methyl 4-amino-2,5-dimethylbenzoate (CAS 21339-74-2) 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.
methyl 4-amino-2,5-dimethylbenzoate
Also Known As: methyl 4-amino-2,5-dimethylbenzoate, methyl 4-amino-2,5-dimethylbenzoate, Methyl4-amino-2,5-dimethylbenzoate, methyl 4-amino-2,5-dimethyl-benzoate, Methyl 4-Amino-2, 5-Dimethylbenzoate
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 21339-74-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)C)C(=O)OC |
| InChIKey | VXKXKISPMWOIKB-UHFFFAOYSA-N |
Product Overview
Methyl 4-amino-2,5-dimethylbenzoate (CAS 21339-74-2), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: methyl 4-amino-2,5-dimethylbenzoate.
Chemical Property Profile of Methyl 4-amino-2,5-dimethylbenzoate
Property Insights of Methyl 4-amino-2,5-dimethylbenzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-2,5-dimethylbenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 4-amino-2,5-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-2,5-dimethylbenzoate 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 4-amino-2,5-dimethylbenzoate?
The CAS number of Methyl 4-amino-2,5-dimethylbenzoate is 21339-74-2.
What is the molecular formula of Methyl 4-amino-2,5-dimethylbenzoate?
The molecular formula of Methyl 4-amino-2,5-dimethylbenzoate is C10H13NO2.
What is the molecular weight of Methyl 4-amino-2,5-dimethylbenzoate?
The molecular weight of Methyl 4-amino-2,5-dimethylbenzoate is 179.09 g/mol.
Where can I buy Methyl 4-amino-2,5-dimethylbenzoate?
You can request a quote for Methyl 4-amino-2,5-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-2,5-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-2,5-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.