4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline
TL;DR: 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline (CAS 313549-30-3) is a chemical compound with molecular formula C15H14N2O and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
Also Known As: 4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline, 4-(5,6-dimethylbenzo[d]oxazol-2-yl)aniline, BAS 02723699, 4-(5,6-dimethylbenzoxazol-2-yl)phenylamine, BIM-0015442.P001
| Molecular Formula | C15H14N2O |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.11061 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 313549-30-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)N |
| InChIKey | XHSMXFRBVSDVRL-UHFFFAOYSA-N |
Product Overview
4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline (CAS 313549-30-3), with molecular formula C15H14N2O and molecular weight 238.11 g/mol. IUPAC: 4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline.
Chemical Property Profile of 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline
Property Insights of 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline
The XLogP value of 3.5 indicates that 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline 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-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline 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-Dimethyl-1,3-benzoxazol-2-yl)aniline?
The CAS number of 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline is 313549-30-3.
What is the molecular formula of 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline?
The molecular formula of 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline is C15H14N2O.
What is the molecular weight of 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline?
The molecular weight of 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline is 238.11 g/mol.
Where can I buy 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline?
You can request a quote for 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline 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-Dimethyl-1,3-benzoxazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,6-Dimethyl-1,3-benzoxazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.