Iodobenzotef
TL;DR: Iodobenzotef (CAS 96345-59-4) is a chemical compound with molecular formula C11H13IN3O2P and molecular weight 376.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(aziridin-1-yl)phosphoryl]-2-iodobenzamide
Also Known As: Iodobenzotef, o-Iodobenzotef, N-[bis(aziridin-1-yl)phosphoryl]-2-iodobenzamide, N-(Bis(1-aziridinyl)phosphinyl)-2-iodobenzamide, N-(Bis(1-aziridinyl)phosphinyl)-o-iodobenzamide
| Molecular Formula | C11H13IN3O2P |
|---|---|
| Molecular Weight | 376.98 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.979 |
| Heavy Atoms | 18 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 96345-59-4 |
|---|---|
| SMILES | C1CN1P(=O)(NC(=O)C2=CC=CC=C2I)N3CC3 |
| InChIKey | WLEFRRNVWGUEIP-UHFFFAOYSA-N |
Product Overview
Iodobenzotef (CAS 96345-59-4), with molecular formula C11H13IN3O2P and molecular weight 376.98 g/mol. IUPAC: N-[bis(aziridin-1-yl)phosphoryl]-2-iodobenzamide.
Chemical Property Profile of Iodobenzotef
Property Insights of Iodobenzotef
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iodobenzotef. With a topological polar surface area (TPSA) of 52.2 Ų, Iodobenzotef exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iodobenzotef has 1 hydrogen bond donor(s) and 4 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 Iodobenzotef?
The CAS number of Iodobenzotef is 96345-59-4.
What is the molecular formula of Iodobenzotef?
The molecular formula of Iodobenzotef is C11H13IN3O2P.
What is the molecular weight of Iodobenzotef?
The molecular weight of Iodobenzotef is 376.98 g/mol.
Where can I buy Iodobenzotef?
You can request a quote for Iodobenzotef directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodobenzotef?
Yes, KEHONG BIO provides custom synthesis services for Iodobenzotef and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.