![3-(Benzo[d]oxazol-2-yl)-2-methylaniline structure](/static/products/3135/313549-87-0.webp)
3-(Benzo[d]oxazol-2-yl)-2-methylaniline
TL;DR: 3-(Benzo[d]oxazol-2-yl)-2-methylaniline (CAS 313549-87-0) 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.
3-(1,3-benzoxazol-2-yl)-2-methylaniline
Also Known As: 3-(Benzo[d]oxazol-2-yl)-2-methylaniline, 3-(1,3-benzoxazol-2-yl)-2-methylaniline, 3-BENZOOXAZOL-2-YL-2-METHYL-PHENYLAMINE, 3-(1,3-benzoxazol-2-yl)-2-methyl-aniline, BB 0216442
| 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 | 271.0 |
Chemical Identifiers
| CAS Number | 313549-87-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1N)C2=NC3=CC=CC=C3O2 |
| InChIKey | FOXHSJUELTXXSM-UHFFFAOYSA-N |
Product Overview
3-(Benzo[d]oxazol-2-yl)-2-methylaniline (CAS 313549-87-0), with molecular formula C14H12N2O and molecular weight 224.09 g/mol. IUPAC: 3-(1,3-benzoxazol-2-yl)-2-methylaniline.
Chemical Property Profile of 3-(Benzo[d]oxazol-2-yl)-2-methylaniline
Property Insights of 3-(Benzo[d]oxazol-2-yl)-2-methylaniline
The XLogP value of 3.1 indicates that 3-(Benzo[d]oxazol-2-yl)-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, 3-(Benzo[d]oxazol-2-yl)-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzo[d]oxazol-2-yl)-2-methylaniline 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 3-(Benzo[d]oxazol-2-yl)-2-methylaniline?
The CAS number of 3-(Benzo[d]oxazol-2-yl)-2-methylaniline is 313549-87-0.
What is the molecular formula of 3-(Benzo[d]oxazol-2-yl)-2-methylaniline?
The molecular formula of 3-(Benzo[d]oxazol-2-yl)-2-methylaniline is C14H12N2O.
What is the molecular weight of 3-(Benzo[d]oxazol-2-yl)-2-methylaniline?
The molecular weight of 3-(Benzo[d]oxazol-2-yl)-2-methylaniline is 224.09 g/mol.
Where can I buy 3-(Benzo[d]oxazol-2-yl)-2-methylaniline?
You can request a quote for 3-(Benzo[d]oxazol-2-yl)-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzo[d]oxazol-2-yl)-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzo[d]oxazol-2-yl)-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.