![3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole structure](/static/products/6105/61054-28-2.webp)
3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole
TL;DR: 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole (CAS 61054-28-2) is a chemical compound with molecular formula C13H12ClNO and molecular weight 233.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole
Also Known As: 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole, 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole, 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole, 4,5,6,7-Tetrahydro-3-(4-chlorophenyl)-2,1-benzisoxazole, 3-(4-Chlorophenyl)-4,5,6,7-tetrahydro-2,1-benzoisoxazole
| Molecular Formula | C13H12ClNO |
|---|---|
| Molecular Weight | 233.06 g/mol |
| LogP | 3.8738 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.06075 |
| Heavy Atoms | 16 |
| Complexity | 501.15118 |
Chemical Identifiers
| CAS Number | 61054-28-2 |
|---|---|
| SMILES | C1CCC2=NOC(=C2C1)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole (CAS 61054-28-2), with molecular formula C13H12ClNO and molecular weight 233.06 g/mol. IUPAC: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole.
Chemical Property Profile of 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole
Property Insights of 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole
The XLogP value of 3.8738 indicates that 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]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, 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]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 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole?
The CAS number of 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole is 61054-28-2.
What is the molecular formula of 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole?
The molecular formula of 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole is C13H12ClNO.
What is the molecular weight of 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole?
The molecular weight of 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole is 233.06 g/mol.
Where can I buy 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole?
You can request a quote for 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-4,5,6,7-tetrahydrobenzo[c]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.