![4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol structure](/static/products/496/496812-67-0.png)
4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol
TL;DR: 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol (CAS 496812-67-0) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
Also Known As: N-methyl-exo-THPO, 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol, 1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-(9CI), 4-methylamino-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-one, 4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.5647 |
| Topological Polar Surface Area | 58.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 326.044 |
Chemical Identifiers
| CAS Number | 496812-67-0 |
|---|---|
| SMILES | CNC1CCCC2=C1C(=O)NO2 |
Product Overview
4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol (CAS 496812-67-0), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one.
Chemical Property Profile of 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol
Property Insights of 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol
The XLogP value of 0.5647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol. With a topological polar surface area (TPSA) of 58.03 Ų, 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol has 2 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-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol?
The CAS number of 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol is 496812-67-0.
What is the molecular formula of 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol?
The molecular formula of 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol is C8H12N2O2.
What is the molecular weight of 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol?
The molecular weight of 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol is 168.09 g/mol.
Where can I buy 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol?
You can request a quote for 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.