5-(1,3-Benzoxazol-2-yl)-2-chloroaniline
TL;DR: 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline (CAS 313645-16-8) is a chemical compound with molecular formula C13H9ClN2O and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzoxazol-2-yl)-2-chloroaniline
Also Known As: 5-(1,3-benzoxazol-2-yl)-2-chloroaniline, Not Available, 5-Benzooxazol-2-yl-2-chlorophenylamine, 5-Benzooxazol-2-yl-2-chloro-phenylamine, 5-(benzo[d]oxazol-2-yl)-2-chloroaniline
| Molecular Formula | C13H9ClN2O |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.04034 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 313645-16-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)N |
| InChIKey | OQKDQHJUUGMNCC-UHFFFAOYSA-N |
Product Overview
5-(1,3-Benzoxazol-2-yl)-2-chloroaniline (CAS 313645-16-8), with molecular formula C13H9ClN2O and molecular weight 244.04 g/mol. IUPAC: 5-(1,3-benzoxazol-2-yl)-2-chloroaniline.
Chemical Property Profile of 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline
Property Insights of 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline
The XLogP value of 3.4 indicates that 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline 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 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline?
The CAS number of 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline is 313645-16-8.
What is the molecular formula of 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline?
The molecular formula of 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline is C13H9ClN2O.
What is the molecular weight of 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline?
The molecular weight of 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline is 244.04 g/mol.
Where can I buy 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline?
You can request a quote for 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzoxazol-2-yl)-2-chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.