Fluorobenzotepa
TL;DR: Fluorobenzotepa (CAS 726-92-1) is a chemical compound with molecular formula C11H13FN3O2P and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(aziridin-1-yl)phosphoryl]-4-fluorobenzamide
Also Known As: Fluorobenzotepa, Fluorbenzotef, Fluorobenzotep, Ftorbenzotef, Fluorbenzotep
| Molecular Formula | C11H13FN3O2P |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.07294 |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 726-92-1 |
|---|---|
| SMILES | C1CN1P(=O)(NC(=O)C2=CC=C(C=C2)F)N3CC3 |
| InChIKey | GDNAXBLBWKDNIR-UHFFFAOYSA-N |
Product Overview
Fluorobenzotepa (CAS 726-92-1), with molecular formula C11H13FN3O2P and molecular weight 269.07 g/mol. IUPAC: N-[bis(aziridin-1-yl)phosphoryl]-4-fluorobenzamide.
Chemical Property Profile of Fluorobenzotepa
Property Insights of Fluorobenzotepa
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fluorobenzotepa. With a topological polar surface area (TPSA) of 52.2 Ų, Fluorobenzotepa exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fluorobenzotepa has 1 hydrogen bond donor(s) and 5 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 Fluorobenzotepa?
The CAS number of Fluorobenzotepa is 726-92-1.
What is the molecular formula of Fluorobenzotepa?
The molecular formula of Fluorobenzotepa is C11H13FN3O2P.
What is the molecular weight of Fluorobenzotepa?
The molecular weight of Fluorobenzotepa is 269.07 g/mol.
Where can I buy Fluorobenzotepa?
You can request a quote for Fluorobenzotepa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluorobenzotepa?
Yes, KEHONG BIO provides custom synthesis services for Fluorobenzotepa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.