Isocyanic acid, 2-anthryl ester
TL;DR: Isocyanic acid, 2-anthryl ester (CAS 17017-03-7) is a chemical compound with molecular formula C15H9NO and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanatoanthracene
Also Known As: 2-Isocyanatoanthracene, 2-Anthryl isocayanate, Anthracene, 2-isocyanato-, 2-Anthracenyl isocyanate, Isocyanic acid, 2-anthryl ester
| Molecular Formula | C15H9NO |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 3.9603 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.06842 |
| Heavy Atoms | 17 |
| Complexity | 755.0601 |
Chemical Identifiers
| CAS Number | 17017-03-7 |
|---|---|
| SMILES | C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N=C=O |
Product Overview
Isocyanic acid, 2-anthryl ester (CAS 17017-03-7), with molecular formula C15H9NO and molecular weight 219.07 g/mol. IUPAC: 2-isocyanatoanthracene.
Chemical Property Profile of Isocyanic acid, 2-anthryl ester
Property Insights of Isocyanic acid, 2-anthryl ester
The XLogP value of 3.9603 indicates that Isocyanic acid, 2-anthryl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, Isocyanic acid, 2-anthryl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocyanic acid, 2-anthryl ester has 0 hydrogen bond donor(s) and 2 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 Isocyanic acid, 2-anthryl ester?
The CAS number of Isocyanic acid, 2-anthryl ester is 17017-03-7.
What is the molecular formula of Isocyanic acid, 2-anthryl ester?
The molecular formula of Isocyanic acid, 2-anthryl ester is C15H9NO.
What is the molecular weight of Isocyanic acid, 2-anthryl ester?
The molecular weight of Isocyanic acid, 2-anthryl ester is 219.07 g/mol.
Where can I buy Isocyanic acid, 2-anthryl ester?
You can request a quote for Isocyanic acid, 2-anthryl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocyanic acid, 2-anthryl ester?
Yes, KEHONG BIO provides custom synthesis services for Isocyanic acid, 2-anthryl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.