3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline
TL;DR: 3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline (CAS 356085-14-8) is a chemical compound with molecular formula C14H11ClN2O and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylaniline
Also Known As: starbld0029378, 3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylaniline, BAS 03236914, BB 0245346, 3-(5-chlorobenzo[d]oxazol-2-yl)-2-methylaniline
| Molecular Formula | C14H11ClN2O |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.056 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 356085-14-8 |
|---|---|
| SMILES | CC1=C(C=CC=C1N)C2=NC3=C(O2)C=CC(=C3)Cl |
| InChIKey | YVVRPSCZEVIZRT-UHFFFAOYSA-N |
Product Overview
3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline (CAS 356085-14-8), with molecular formula C14H11ClN2O and molecular weight 258.06 g/mol. IUPAC: 3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylaniline.
Chemical Property Profile of 3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline
Property Insights of 3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline
The XLogP value of 3.7 indicates that 3-(5-Chloro-1,3-benzoxazol-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-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Chloro-1,3-benzoxazol-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-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline?
The CAS number of 3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline is 356085-14-8.
What is the molecular formula of 3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline?
The molecular formula of 3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline is C14H11ClN2O.
What is the molecular weight of 3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline?
The molecular weight of 3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline is 258.06 g/mol.
Where can I buy 3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline?
You can request a quote for 3-(5-Chloro-1,3-benzoxazol-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-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Chloro-1,3-benzoxazol-2-yl)-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.