1,4-Bis(5-amino-2-benzoxazolyl)benzene
TL;DR: 1,4-Bis(5-amino-2-benzoxazolyl)benzene (CAS 13752-53-9) is a chemical compound with molecular formula C20H14N4O2 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5-amino-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-amine
Also Known As: ChemDiv2_000274, 2,2'-(1,4-Phenylene)bis(benzo[d]oxazol-5-amine), 1,4-Bis(5-amino-2-benzoxazolyl)benzene, BAS 00255172, 2-[4-(5-amino-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-amine
| Molecular Formula | C20H14N4O2 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.11166 |
| Heavy Atoms | 26 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 13752-53-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)N)C4=NC5=C(O4)C=CC(=C5)N |
| InChIKey | DIXHWJYQQGNWTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis(5-amino-2-benzoxazolyl)benzene (CAS 13752-53-9), with molecular formula C20H14N4O2 and molecular weight 342.11 g/mol. IUPAC: 2-[4-(5-amino-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazol-5-amine.
Chemical Property Profile of 1,4-Bis(5-amino-2-benzoxazolyl)benzene
Property Insights of 1,4-Bis(5-amino-2-benzoxazolyl)benzene
The XLogP value of 3.6 indicates that 1,4-Bis(5-amino-2-benzoxazolyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Bis(5-amino-2-benzoxazolyl)benzene. Following Lipinski's Rule of Five, 1,4-Bis(5-amino-2-benzoxazolyl)benzene has 2 hydrogen bond donor(s) and 6 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 1,4-Bis(5-amino-2-benzoxazolyl)benzene?
The CAS number of 1,4-Bis(5-amino-2-benzoxazolyl)benzene is 13752-53-9.
What is the molecular formula of 1,4-Bis(5-amino-2-benzoxazolyl)benzene?
The molecular formula of 1,4-Bis(5-amino-2-benzoxazolyl)benzene is C20H14N4O2.
What is the molecular weight of 1,4-Bis(5-amino-2-benzoxazolyl)benzene?
The molecular weight of 1,4-Bis(5-amino-2-benzoxazolyl)benzene is 342.11 g/mol.
Where can I buy 1,4-Bis(5-amino-2-benzoxazolyl)benzene?
You can request a quote for 1,4-Bis(5-amino-2-benzoxazolyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(5-amino-2-benzoxazolyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(5-amino-2-benzoxazolyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.