Benzyl iodoacetate
TL;DR: Benzyl iodoacetate (CAS 81867-37-0) is a chemical compound with molecular formula C9H9IO2 and molecular weight 275.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-iodoacetate
Also Known As: Benzyl iodoacetate, benzyl 2-iodoacetate, benzyl-2-iodoacetate, Phenylmethyl 2-iodoacetate, Iodoacetic acid benzyl ester
| Molecular Formula | C9H9IO2 |
|---|---|
| Molecular Weight | 275.96 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.96472 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 81867-37-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CI |
| InChIKey | RCNXBVQQUUKQNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl iodoacetate (CAS 81867-37-0), with molecular formula C9H9IO2 and molecular weight 275.96 g/mol. IUPAC: benzyl 2-iodoacetate.
Chemical Property Profile of Benzyl iodoacetate
Property Insights of Benzyl iodoacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl iodoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl iodoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl iodoacetate has 0 hydrogen bond donor(s) and 2 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 Benzyl iodoacetate?
The CAS number of Benzyl iodoacetate is 81867-37-0.
What is the molecular formula of Benzyl iodoacetate?
The molecular formula of Benzyl iodoacetate is C9H9IO2.
What is the molecular weight of Benzyl iodoacetate?
The molecular weight of Benzyl iodoacetate is 275.96 g/mol.
Where can I buy Benzyl iodoacetate?
You can request a quote for Benzyl iodoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl iodoacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl iodoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.