p-Phenylene benzobisoxazole
TL;DR: p-Phenylene benzobisoxazole (CAS 904-39-2) is a chemical compound with molecular formula C20H12N2O2 and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
Also Known As: p-phenylene benzobisoxazole, UNKNOWN_FIELD_TYPE, Benzoxazole, 2,2'-(1,4-phenylene)bis-, 2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole, 1,4-bis(2-benzoxazolyl)benzene
| Molecular Formula | C20H12N2O2 |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.08987 |
| Heavy Atoms | 24 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 904-39-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4 |
| InChIKey | ICXAPFWGVRTEKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Phenylene benzobisoxazole (CAS 904-39-2), with molecular formula C20H12N2O2 and molecular weight 312.09 g/mol. IUPAC: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole.
Chemical Property Profile of p-Phenylene benzobisoxazole
Property Insights of p-Phenylene benzobisoxazole
The XLogP value of 4.9 indicates that p-Phenylene benzobisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, p-Phenylene benzobisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Phenylene benzobisoxazole has 0 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 p-Phenylene benzobisoxazole?
The CAS number of p-Phenylene benzobisoxazole is 904-39-2.
What is the molecular formula of p-Phenylene benzobisoxazole?
The molecular formula of p-Phenylene benzobisoxazole is C20H12N2O2.
What is the molecular weight of p-Phenylene benzobisoxazole?
The molecular weight of p-Phenylene benzobisoxazole is 312.09 g/mol.
Where can I buy p-Phenylene benzobisoxazole?
You can request a quote for p-Phenylene benzobisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Phenylene benzobisoxazole?
Yes, KEHONG BIO provides custom synthesis services for p-Phenylene benzobisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.