![5-Methyl-3-propylbenzo[d]isoxazole structure](/static/products/401/401835-16-3.png)
5-Methyl-3-propylbenzo[d]isoxazole
TL;DR: 5-Methyl-3-propylbenzo[d]isoxazole (CAS 401835-16-3) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-propyl-1,2-benzoxazole
Also Known As: 5-methyl-3-propylbenzo[d]isoxazole, 5-methyl-3-propyl-1,2-benzoxazole, 5-methyl-3-propyl-benzo[d]isoxazole, 1,2-Benzisoxazole, 5-methyl-3-propyl-
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 3.08872 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 416.94754 |
Chemical Identifiers
| CAS Number | 401835-16-3 |
|---|---|
| SMILES | CCCC1=NOC2=C1C=C(C=C2)C |
Product Overview
5-Methyl-3-propylbenzo[d]isoxazole (CAS 401835-16-3), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 5-methyl-3-propyl-1,2-benzoxazole.
Chemical Property Profile of 5-Methyl-3-propylbenzo[d]isoxazole
Property Insights of 5-Methyl-3-propylbenzo[d]isoxazole
The XLogP value of 3.08872 indicates that 5-Methyl-3-propylbenzo[d]isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 5-Methyl-3-propylbenzo[d]isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-propylbenzo[d]isoxazole has 0 hydrogen bond donor(s) and 2 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 5-Methyl-3-propylbenzo[d]isoxazole?
The CAS number of 5-Methyl-3-propylbenzo[d]isoxazole is 401835-16-3.
What is the molecular formula of 5-Methyl-3-propylbenzo[d]isoxazole?
The molecular formula of 5-Methyl-3-propylbenzo[d]isoxazole is C11H13NO.
What is the molecular weight of 5-Methyl-3-propylbenzo[d]isoxazole?
The molecular weight of 5-Methyl-3-propylbenzo[d]isoxazole is 175.10 g/mol.
Where can I buy 5-Methyl-3-propylbenzo[d]isoxazole?
You can request a quote for 5-Methyl-3-propylbenzo[d]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-propylbenzo[d]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-propylbenzo[d]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.