4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine
TL;DR: 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine (CAS 13054-47-2) is a chemical compound with molecular formula C7H10N2O and molecular weight 138.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
Also Known As: 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine, 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine, 4,5,6,7-tetrahydrobenzo[c]isoxazol-3-amine, 2,1-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro-, 4,5,6,7-tetrahydro-benzo[c]isoxazol-3-ylamine
| Molecular Formula | C7H10N2O |
|---|---|
| Molecular Weight | 138.08 g/mol |
| LogP | 1.1356 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.07932 |
| Heavy Atoms | 10 |
| Complexity | 241.75418 |
Chemical Identifiers
| CAS Number | 13054-47-2 |
|---|---|
| SMILES | C1CCC2=NOC(=C2C1)N |
Product Overview
4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine (CAS 13054-47-2), with molecular formula C7H10N2O and molecular weight 138.08 g/mol. IUPAC: 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
Chemical Property Profile of 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine
Property Insights of 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine
The XLogP value of 1.1356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine. With a topological polar surface area (TPSA) of 52.05 Ų, 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine 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 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine?
The CAS number of 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine is 13054-47-2.
What is the molecular formula of 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine?
The molecular formula of 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine is C7H10N2O.
What is the molecular weight of 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine?
The molecular weight of 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine is 138.08 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine?
You can request a quote for 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.