2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile
TL;DR: 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile (CAS 577987-07-6) is a chemical compound with molecular formula C18H12N2O and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile
Also Known As: 2-(1,3-benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile, (2E,4E)-2-(1,3-benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile
| Molecular Formula | C18H12N2O |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 4.44818 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.09497 |
| Heavy Atoms | 21 |
| Complexity | 818.56067 |
Chemical Identifiers
| CAS Number | 577987-07-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=C(C#N)C2=NC3=CC=CC=C3O2 |
Product Overview
2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile (CAS 577987-07-6), with molecular formula C18H12N2O and molecular weight 272.09 g/mol. IUPAC: 2-(1,3-benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile.
Chemical Property Profile of 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile
Property Insights of 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile
The XLogP value of 4.44818 indicates that 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.82 Ų, 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile has 0 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 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile?
The CAS number of 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile is 577987-07-6.
What is the molecular formula of 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile?
The molecular formula of 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile is C18H12N2O.
What is the molecular weight of 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile?
The molecular weight of 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile is 272.09 g/mol.
Where can I buy 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile?
You can request a quote for 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.