2-Isocyano-5-chloro-2'-fluorobenzophenone
TL;DR: 2-Isocyano-5-chloro-2'-fluorobenzophenone (CAS 730964-91-7) is a chemical compound with molecular formula C14H7ClFNO and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-2-isocyanophenyl)-(2-fluorophenyl)methanone
Also Known As: 2-Isocyano-5-chloro-2'-fluorobenzophenone, (5-chloro-2-isocyanophenyl)-(2-fluorophenyl)methanone, (5-Chloro-2-isocyanophenyl)(2-fluorophenyl)methanone, (5-chloro-2-isocyano-phenyl)-(2-fluorophenyl)methanone, C14H7ClFNO
| Molecular Formula | C14H7ClFNO |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 4.26089 |
| Topological Polar Surface Area | 21.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.02002 |
| Heavy Atoms | 18 |
| Complexity | 661.08386 |
Chemical Identifiers
| CAS Number | 730964-91-7 |
|---|---|
| SMILES | [C-]#[N+]C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2F |
Product Overview
2-Isocyano-5-chloro-2'-fluorobenzophenone (CAS 730964-91-7), with molecular formula C14H7ClFNO and molecular weight 259.02 g/mol. IUPAC: (5-chloro-2-isocyanophenyl)-(2-fluorophenyl)methanone.
Chemical Property Profile of 2-Isocyano-5-chloro-2'-fluorobenzophenone
Property Insights of 2-Isocyano-5-chloro-2'-fluorobenzophenone
The XLogP value of 4.26089 indicates that 2-Isocyano-5-chloro-2'-fluorobenzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.43 Ų, 2-Isocyano-5-chloro-2'-fluorobenzophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyano-5-chloro-2'-fluorobenzophenone has 0 hydrogen bond donor(s) and 1 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-Isocyano-5-chloro-2'-fluorobenzophenone?
The CAS number of 2-Isocyano-5-chloro-2'-fluorobenzophenone is 730964-91-7.
What is the molecular formula of 2-Isocyano-5-chloro-2'-fluorobenzophenone?
The molecular formula of 2-Isocyano-5-chloro-2'-fluorobenzophenone is C14H7ClFNO.
What is the molecular weight of 2-Isocyano-5-chloro-2'-fluorobenzophenone?
The molecular weight of 2-Isocyano-5-chloro-2'-fluorobenzophenone is 259.02 g/mol.
Where can I buy 2-Isocyano-5-chloro-2'-fluorobenzophenone?
You can request a quote for 2-Isocyano-5-chloro-2'-fluorobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyano-5-chloro-2'-fluorobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyano-5-chloro-2'-fluorobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.