4-Isocyanatobenzophenone
TL;DR: 4-Isocyanatobenzophenone (CAS 63648-38-4) is a chemical compound with molecular formula C14H9NO2 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-isocyanatophenyl)-phenylmethanone
Also Known As: 4-Isocyanatobenzophenone, (4-isocyanatophenyl)(phenyl)methanone, (4-isocyanatophenyl)-phenylmethanone, 4-isocyanato-benzophenone, (4-Isocyanatophenyl)phenylmethanone
| Molecular Formula | C14H9NO2 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.06332 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 63648-38-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N=C=O |
| InChIKey | UUUAWYNSKSCNMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isocyanatobenzophenone (CAS 63648-38-4), with molecular formula C14H9NO2 and molecular weight 223.06 g/mol. IUPAC: (4-isocyanatophenyl)-phenylmethanone.
Chemical Property Profile of 4-Isocyanatobenzophenone
Property Insights of 4-Isocyanatobenzophenone
The XLogP value of 4.2 indicates that 4-Isocyanatobenzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Isocyanatobenzophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isocyanatobenzophenone 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 4-Isocyanatobenzophenone?
The CAS number of 4-Isocyanatobenzophenone is 63648-38-4.
What is the molecular formula of 4-Isocyanatobenzophenone?
The molecular formula of 4-Isocyanatobenzophenone is C14H9NO2.
What is the molecular weight of 4-Isocyanatobenzophenone?
The molecular weight of 4-Isocyanatobenzophenone is 223.06 g/mol.
Where can I buy 4-Isocyanatobenzophenone?
You can request a quote for 4-Isocyanatobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isocyanatobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Isocyanatobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.