Diiodobenzotepa
TL;DR: Diiodobenzotepa (CAS 4460-32-6) is a chemical compound with molecular formula C11H12I2N3O2P and molecular weight 502.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(aziridin-1-yl)phosphoryl]-2,5-diiodobenzamide
Also Known As: Diiodobenzotepa, Diiodbenzoteph, Diiodobenzoteph, Dijodbenzotef, Diiodobenzotef
| Molecular Formula | C11H12I2N3O2P |
|---|---|
| Molecular Weight | 502.88 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.87567 |
| Heavy Atoms | 19 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 4460-32-6 |
|---|---|
| SMILES | C1CN1P(=O)(NC(=O)C2=C(C=CC(=C2)I)I)N3CC3 |
| InChIKey | BFKKCDNAUZMDOX-UHFFFAOYSA-N |
Product Overview
Diiodobenzotepa (CAS 4460-32-6), with molecular formula C11H12I2N3O2P and molecular weight 502.88 g/mol. IUPAC: N-[bis(aziridin-1-yl)phosphoryl]-2,5-diiodobenzamide.
Chemical Property Profile of Diiodobenzotepa
Property Insights of Diiodobenzotepa
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diiodobenzotepa. With a topological polar surface area (TPSA) of 52.2 Ų, Diiodobenzotepa exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diiodobenzotepa has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diiodobenzotepa?
The CAS number of Diiodobenzotepa is 4460-32-6.
What is the molecular formula of Diiodobenzotepa?
The molecular formula of Diiodobenzotepa is C11H12I2N3O2P.
What is the molecular weight of Diiodobenzotepa?
The molecular weight of Diiodobenzotepa is 502.88 g/mol.
Where can I buy Diiodobenzotepa?
You can request a quote for Diiodobenzotepa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diiodobenzotepa?
Yes, KEHONG BIO provides custom synthesis services for Diiodobenzotepa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.