2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline
TL;DR: 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline (CAS 637302-76-2) is a chemical compound with molecular formula C18H19ClN2O and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline
Also Known As: ASISCHEM U68249, 2-chloro-5-(5-pentan-2-ylbenzooxazol-2-yl)aniline, 2-chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline
| Molecular Formula | C18H19ClN2O |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 5.634 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1186 |
| Heavy Atoms | 22 |
| Complexity | 809.9524 |
Chemical Identifiers
| CAS Number | 637302-76-2 |
|---|---|
| SMILES | CCCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)N |
Product Overview
2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline (CAS 637302-76-2), with molecular formula C18H19ClN2O and molecular weight 314.12 g/mol. IUPAC: 2-chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline.
Chemical Property Profile of 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline
Property Insights of 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline
The XLogP value of 5.634 indicates that 2-Chloro-5-(5-pentan-2-yl-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 52.05 Ų, 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline?
The CAS number of 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline is 637302-76-2.
What is the molecular formula of 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline?
The molecular formula of 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline is C18H19ClN2O.
What is the molecular weight of 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline?
The molecular weight of 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline is 314.12 g/mol.
Where can I buy 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline?
You can request a quote for 2-Chloro-5-(5-pentan-2-yl-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 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(5-pentan-2-yl-1,3-benzoxazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.