5-Benzooxazol-2-yl-benzene-1,3-diamine
TL;DR: 5-Benzooxazol-2-yl-benzene-1,3-diamine (CAS 56629-40-4) is a chemical compound with molecular formula C13H11N3O and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine
Also Known As: 5-Benzooxazol-2-yl-benzene-1,3-diamine, 5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine, 2-(3,5-diaminophenyl)benzoxazole, 5-benzoxazol-2-ylbenzene-1,3-diamine, 5-(2-Benzoxazolyl)benzene-1,3-diamine
| Molecular Formula | C13H11N3O |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.09021 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 56629-40-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC(=C3)N)N |
| InChIKey | VEXMZKUPOWVZOA-UHFFFAOYSA-N |
Product Overview
5-Benzooxazol-2-yl-benzene-1,3-diamine (CAS 56629-40-4), with molecular formula C13H11N3O and molecular weight 225.09 g/mol. IUPAC: 5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine.
Chemical Property Profile of 5-Benzooxazol-2-yl-benzene-1,3-diamine
Property Insights of 5-Benzooxazol-2-yl-benzene-1,3-diamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzooxazol-2-yl-benzene-1,3-diamine. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzooxazol-2-yl-benzene-1,3-diamine. Following Lipinski's Rule of Five, 5-Benzooxazol-2-yl-benzene-1,3-diamine has 2 hydrogen bond donor(s) and 4 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-Benzooxazol-2-yl-benzene-1,3-diamine?
The CAS number of 5-Benzooxazol-2-yl-benzene-1,3-diamine is 56629-40-4.
What is the molecular formula of 5-Benzooxazol-2-yl-benzene-1,3-diamine?
The molecular formula of 5-Benzooxazol-2-yl-benzene-1,3-diamine is C13H11N3O.
What is the molecular weight of 5-Benzooxazol-2-yl-benzene-1,3-diamine?
The molecular weight of 5-Benzooxazol-2-yl-benzene-1,3-diamine is 225.09 g/mol.
Where can I buy 5-Benzooxazol-2-yl-benzene-1,3-diamine?
You can request a quote for 5-Benzooxazol-2-yl-benzene-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzooxazol-2-yl-benzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzooxazol-2-yl-benzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.