Methyl (1,2-benzoxazol-3-yl)acetate
TL;DR: Methyl (1,2-benzoxazol-3-yl)acetate (CAS 59899-89-7) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,2-benzoxazol-3-yl)acetate
Also Known As: methyl 2-(1,2-benzisoxazol-3-yl)acetate, methyl 2-(1,2-benzoxazol-3-yl)acetate, Zonisamide impurity 11, Zonisamide Impurity 16, METHYL 2-(BENZO[D]ISOXAZOL-3-YL)ACETATE
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.5433 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 461.08997 |
Chemical Identifiers
| CAS Number | 59899-89-7 |
|---|---|
| SMILES | COC(=O)CC1=NOC2=CC=CC=C21 |
Product Overview
Methyl (1,2-benzoxazol-3-yl)acetate (CAS 59899-89-7), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: methyl 2-(1,2-benzoxazol-3-yl)acetate.
Chemical Property Profile of Methyl (1,2-benzoxazol-3-yl)acetate
Property Insights of Methyl (1,2-benzoxazol-3-yl)acetate
The XLogP value of 1.5433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (1,2-benzoxazol-3-yl)acetate. With a topological polar surface area (TPSA) of 52.33 Ų, Methyl (1,2-benzoxazol-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (1,2-benzoxazol-3-yl)acetate has 0 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 (1,2-benzoxazol-3-yl)acetate?
The CAS number of Methyl (1,2-benzoxazol-3-yl)acetate is 59899-89-7.
What is the molecular formula of Methyl (1,2-benzoxazol-3-yl)acetate?
The molecular formula of Methyl (1,2-benzoxazol-3-yl)acetate is C10H9NO3.
What is the molecular weight of Methyl (1,2-benzoxazol-3-yl)acetate?
The molecular weight of Methyl (1,2-benzoxazol-3-yl)acetate is 191.06 g/mol.
Where can I buy Methyl (1,2-benzoxazol-3-yl)acetate?
You can request a quote for Methyl (1,2-benzoxazol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (1,2-benzoxazol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (1,2-benzoxazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.