N-methyl-1,3-benzoxazol-2-amine
TL;DR: N-methyl-1,3-benzoxazol-2-amine (CAS 101333-98-6) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1,3-benzoxazol-2-amine
Also Known As: N-Methyl-1,3-benzoxazol-2-amine, N-methylbenzo[d]oxazol-2-amine, 2-Benzoxazolamine, N-methyl-, 2-Methylaminobenzoxazole, benzoxazole, 2-methylamino-
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 101333-98-6 |
|---|---|
| SMILES | CNC1=NC2=CC=CC=C2O1 |
| InChIKey | RNDXNZLSLYKBAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-1,3-benzoxazol-2-amine (CAS 101333-98-6), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: N-methyl-1,3-benzoxazol-2-amine.
Chemical Property Profile of N-methyl-1,3-benzoxazol-2-amine
Property Insights of N-methyl-1,3-benzoxazol-2-amine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-1,3-benzoxazol-2-amine. With a topological polar surface area (TPSA) of 38.1 Ų, N-methyl-1,3-benzoxazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-1,3-benzoxazol-2-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 N-methyl-1,3-benzoxazol-2-amine?
The CAS number of N-methyl-1,3-benzoxazol-2-amine is 101333-98-6.
What is the molecular formula of N-methyl-1,3-benzoxazol-2-amine?
The molecular formula of N-methyl-1,3-benzoxazol-2-amine is C8H8N2O.
What is the molecular weight of N-methyl-1,3-benzoxazol-2-amine?
The molecular weight of N-methyl-1,3-benzoxazol-2-amine is 148.06 g/mol.
Where can I buy N-methyl-1,3-benzoxazol-2-amine?
You can request a quote for N-methyl-1,3-benzoxazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-1,3-benzoxazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-1,3-benzoxazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.