苯甲酰碘
TL;DR: 苯甲酰碘 (CAS 618-38-2) is a chemical compound with molecular formula C1=CC=C(C=C1)C(=O)I and molecular weight 231.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酰碘
benzoyl iodide
Also Known As: Benzoyl iodide, Benzoic acid iodide, RefChem:118780
| Molecular Formula | C1=CC=C(C=C1)C(=O)I |
|---|---|
| Molecular Weight | 231.94 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.9385 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 618-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)I |
| InChIKey | WPCXDBCEDWUSOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酰碘 (CAS 618-38-2), with molecular formula C1=CC=C(C=C1)C(=O)I and molecular weight 231.94 g/mol. IUPAC: benzoyl iodide.
Chemical Property Profile of 苯甲酰碘
Property Insights of 苯甲酰碘
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酰碘. With a topological polar surface area (TPSA) of 17.1 Ų, 苯甲酰碘 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酰碘 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 苯甲酰碘?
The CAS number of 苯甲酰碘 is 618-38-2.
What is the molecular formula of 苯甲酰碘?
The molecular formula of 苯甲酰碘 is C1=CC=C(C=C1)C(=O)I.
What is the molecular weight of 苯甲酰碘?
The molecular weight of 苯甲酰碘 is 231.94 g/mol.
Where can I buy 苯甲酰碘?
You can request a quote for 苯甲酰碘 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酰碘?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酰碘 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.