3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
TL;DR: 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline (CAS 443290-89-9) is a chemical compound with molecular formula C15H13ClN2O and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
Also Known As: 3-chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline, 3-chloro-4-(5,6-dimethylbenzooxazol-2-yl)aniline
| Molecular Formula | C15H13ClN2O |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 4.34724 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.07166 |
| Heavy Atoms | 19 |
| Complexity | 738.1568 |
Chemical Identifiers
| CAS Number | 443290-89-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=C(C=C3)N)Cl |
Product Overview
3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline (CAS 443290-89-9), with molecular formula C15H13ClN2O and molecular weight 272.07 g/mol. IUPAC: 3-chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline.
Chemical Property Profile of 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
Property Insights of 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
The XLogP value of 4.34724 indicates that 3-Chloro-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 52.05 Ų, 3-Chloro-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, 3-Chloro-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 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline?
The CAS number of 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline is 443290-89-9.
What is the molecular formula of 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline?
The molecular formula of 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline is C15H13ClN2O.
What is the molecular weight of 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline?
The molecular weight of 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline is 272.07 g/mol.
Where can I buy 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline?
You can request a quote for 3-Chloro-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 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.