1-Isocyanatofluoren-9-one
TL;DR: 1-Isocyanatofluoren-9-one (CAS 71820-56-9) is a chemical compound with molecular formula C14H7NO2 and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanatofluoren-9-one
Also Known As: 1-isocyanatofluoren-9-one, 1-isocyanato-9h-fluoren-9-one, NCIOpen2_003864, 9H-Fluoren-9-one,1-isocyanato-
| Molecular Formula | C14H7NO2 |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.04768 |
| Heavy Atoms | 17 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 71820-56-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)N=C=O |
| InChIKey | XVVQBWZPPNKESG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isocyanatofluoren-9-one (CAS 71820-56-9), with molecular formula C14H7NO2 and molecular weight 221.05 g/mol. IUPAC: 1-isocyanatofluoren-9-one.
Chemical Property Profile of 1-Isocyanatofluoren-9-one
Property Insights of 1-Isocyanatofluoren-9-one
The XLogP value of 3.9 indicates that 1-Isocyanatofluoren-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 1-Isocyanatofluoren-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanatofluoren-9-one 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 1-Isocyanatofluoren-9-one?
The CAS number of 1-Isocyanatofluoren-9-one is 71820-56-9.
What is the molecular formula of 1-Isocyanatofluoren-9-one?
The molecular formula of 1-Isocyanatofluoren-9-one is C14H7NO2.
What is the molecular weight of 1-Isocyanatofluoren-9-one?
The molecular weight of 1-Isocyanatofluoren-9-one is 221.05 g/mol.
Where can I buy 1-Isocyanatofluoren-9-one?
You can request a quote for 1-Isocyanatofluoren-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanatofluoren-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanatofluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.