2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile
TL;DR: 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile (CAS 330446-73-6) is a chemical compound with molecular formula C20H13N3O and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile
Also Known As: 2-(1,3-benzoxazol-2-yl)-3-(1-naphthylamino)acrylonitrile, 2-(1,3-benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile
| Molecular Formula | C20H13N3O |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 4.95758 |
| Topological Polar Surface Area | 61.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.10587 |
| Heavy Atoms | 24 |
| Complexity | 1064.2314 |
Chemical Identifiers
| CAS Number | 330446-73-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2NC=C(C#N)C3=NC4=CC=CC=C4O3 |
Product Overview
2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile (CAS 330446-73-6), with molecular formula C20H13N3O and molecular weight 311.11 g/mol. IUPAC: 2-(1,3-benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile
Property Insights of 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile
The XLogP value of 4.95758 indicates that 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile has 1 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 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile?
The CAS number of 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile is 330446-73-6.
What is the molecular formula of 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile?
The molecular formula of 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile is C20H13N3O.
What is the molecular weight of 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile?
The molecular weight of 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile is 311.11 g/mol.
Where can I buy 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile?
You can request a quote for 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile 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)-3-(naphthalen-1-ylamino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzoxazol-2-yl)-3-(naphthalen-1-ylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.