2-Isocyano-2'-fluoro-5-bromobenzophenone
TL;DR: 2-Isocyano-2'-fluoro-5-bromobenzophenone (CAS 730964-92-8) is a chemical compound with molecular formula C14H7BrFNO and molecular weight 302.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-2-isocyanophenyl)-(2-fluorophenyl)methanone
Also Known As: 2-Isocyano-2'-fluoro-5-bromobenzophenone, (5-Bromo-2-isocyanophenyl)(2-fluorophenyl)methanone, (5-bromo-2-isocyanophenyl)-(2-fluorophenyl)methanone, (5-bromo-2-isocyano-phenyl)-(2-fluorophenyl)methanone
| Molecular Formula | C14H7BrFNO |
|---|---|
| Molecular Weight | 302.97 g/mol |
| LogP | 4.36999 |
| Topological Polar Surface Area | 21.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.9695 |
| Heavy Atoms | 18 |
| Complexity | 661.08386 |
Chemical Identifiers
| CAS Number | 730964-92-8 |
|---|---|
| SMILES | [C-]#[N+]C1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2F |
Product Overview
2-Isocyano-2'-fluoro-5-bromobenzophenone (CAS 730964-92-8), with molecular formula C14H7BrFNO and molecular weight 302.97 g/mol. IUPAC: (5-bromo-2-isocyanophenyl)-(2-fluorophenyl)methanone.
Chemical Property Profile of 2-Isocyano-2'-fluoro-5-bromobenzophenone
Property Insights of 2-Isocyano-2'-fluoro-5-bromobenzophenone
The XLogP value of 4.36999 indicates that 2-Isocyano-2'-fluoro-5-bromobenzophenone 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-2'-fluoro-5-bromobenzophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyano-2'-fluoro-5-bromobenzophenone 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-2'-fluoro-5-bromobenzophenone?
The CAS number of 2-Isocyano-2'-fluoro-5-bromobenzophenone is 730964-92-8.
What is the molecular formula of 2-Isocyano-2'-fluoro-5-bromobenzophenone?
The molecular formula of 2-Isocyano-2'-fluoro-5-bromobenzophenone is C14H7BrFNO.
What is the molecular weight of 2-Isocyano-2'-fluoro-5-bromobenzophenone?
The molecular weight of 2-Isocyano-2'-fluoro-5-bromobenzophenone is 302.97 g/mol.
Where can I buy 2-Isocyano-2'-fluoro-5-bromobenzophenone?
You can request a quote for 2-Isocyano-2'-fluoro-5-bromobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyano-2'-fluoro-5-bromobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyano-2'-fluoro-5-bromobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.