1-Methylethyl 4-amino-2-hydroxybenzoate
TL;DR: 1-Methylethyl 4-amino-2-hydroxybenzoate (CAS 6018-21-9) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-amino-2-hydroxybenzoate
Also Known As: Isopropyl p-aminosalicylate, PAS isopropyl ester, propan-2-yl 4-amino-2-hydroxybenzoate, 1-Methylethyl 4-amino-2-hydroxybenzoate, Salicylic acid, amino-, isopropyl ester
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 6018-21-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=C(C=C1)N)O |
| InChIKey | YBUHABZMSNVUKQ-UHFFFAOYSA-N |
Product Overview
1-Methylethyl 4-amino-2-hydroxybenzoate (CAS 6018-21-9), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: propan-2-yl 4-amino-2-hydroxybenzoate.
Chemical Property Profile of 1-Methylethyl 4-amino-2-hydroxybenzoate
Property Insights of 1-Methylethyl 4-amino-2-hydroxybenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylethyl 4-amino-2-hydroxybenzoate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylethyl 4-amino-2-hydroxybenzoate. Following Lipinski's Rule of Five, 1-Methylethyl 4-amino-2-hydroxybenzoate has 2 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 1-Methylethyl 4-amino-2-hydroxybenzoate?
The CAS number of 1-Methylethyl 4-amino-2-hydroxybenzoate is 6018-21-9.
What is the molecular formula of 1-Methylethyl 4-amino-2-hydroxybenzoate?
The molecular formula of 1-Methylethyl 4-amino-2-hydroxybenzoate is C10H13NO3.
What is the molecular weight of 1-Methylethyl 4-amino-2-hydroxybenzoate?
The molecular weight of 1-Methylethyl 4-amino-2-hydroxybenzoate is 195.09 g/mol.
Where can I buy 1-Methylethyl 4-amino-2-hydroxybenzoate?
You can request a quote for 1-Methylethyl 4-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 1-Methylethyl 4-amino-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 4-amino-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.