3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline
TL;DR: 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline (CAS 415686-41-8) is a chemical compound with molecular formula C13H8Cl2N2O and molecular weight 278.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline
Also Known As: 3-chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline, BIM-0016905.P001, 3-chloro-4-(5-chloro-2-benzoxazolyl)Benzenamine
| Molecular Formula | C13H8Cl2N2O |
|---|---|
| Molecular Weight | 278.00 g/mol |
| LogP | 4.3838 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.00137 |
| Heavy Atoms | 18 |
| Complexity | 736.9345 |
Chemical Identifiers
| CAS Number | 415686-41-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Cl)C2=NC3=C(O2)C=CC(=C3)Cl |
Product Overview
3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline (CAS 415686-41-8), with molecular formula C13H8Cl2N2O and molecular weight 278.00 g/mol. IUPAC: 3-chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline.
Chemical Property Profile of 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline
Property Insights of 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline
The XLogP value of 4.3838 indicates that 3-Chloro-4-(5-chloro-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, 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(5-chloro-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 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline?
The CAS number of 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline is 415686-41-8.
What is the molecular formula of 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline?
The molecular formula of 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline is C13H8Cl2N2O.
What is the molecular weight of 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline?
The molecular weight of 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline is 278.00 g/mol.
Where can I buy 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline?
You can request a quote for 3-Chloro-4-(5-chloro-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 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.