4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
TL;DR: 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine (CAS 22501-77-5) is a chemical compound with molecular formula C14H12N2O and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methyl-1,3-benzoxazol-2-yl)aniline
Also Known As: 4-(5-methyl-1,3-benzoxazol-2-yl)aniline, 4-(5-Methyl-benzooxazol-2-yl)-phenylamine, 4-(5-methylbenzo[d]oxazol-2-yl)aniline, 4-(5-Methylbenzoxazol-2-yl)phenylamine, 4-(5-methyl-1,3-benzoxazol-2-yl)phenylamine
| Molecular Formula | C14H12N2O |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.09496 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 22501-77-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N |
| InChIKey | TZIKYKSWQZSLOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine (CAS 22501-77-5), with molecular formula C14H12N2O and molecular weight 224.09 g/mol. IUPAC: 4-(5-methyl-1,3-benzoxazol-2-yl)aniline.
Chemical Property Profile of 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
Property Insights of 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
The XLogP value of 3.1 indicates that 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine 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-Methyl-1,3-benzoxazol-2-YL)phenylamine?
The CAS number of 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine is 22501-77-5.
What is the molecular formula of 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine?
The molecular formula of 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine is C14H12N2O.
What is the molecular weight of 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine?
The molecular weight of 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine is 224.09 g/mol.
Where can I buy 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine?
You can request a quote for 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.