Phenylketoisophosphamide
TL;DR: Phenylketoisophosphamide (CAS 100993-69-9) is a chemical compound with molecular formula C13H19Cl2N2O3P and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bis(2-chloroethylamino)phosphoryloxy-1-phenylpropan-1-one
Also Known As: Phenylketoisophosphamide, 3-bis(2-chloroethylamino)phosphoryloxy-1-phenylpropan-1-one, 3-Oxo-3-phenylpropyl N,N'-bis(2-chloroethyl)phosphorodiamidate, Phosphodiamidic acid,N'-bis(2-chloroethyl)-, 3-oxo-3-phenylpropyl ester, Phosphorodiamidic acid,N'-bis(2-chloroethyl)-, 3-oxo-3-phenylpropyl ester
| Molecular Formula | C13H19Cl2N2O3P |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 352.05103 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 100993-69-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CCOP(=O)(NCCCl)NCCCl |
| InChIKey | WPCURHQONDQDRY-UHFFFAOYSA-N |
Product Overview
Phenylketoisophosphamide (CAS 100993-69-9), with molecular formula C13H19Cl2N2O3P and molecular weight 352.05 g/mol. IUPAC: 3-bis(2-chloroethylamino)phosphoryloxy-1-phenylpropan-1-one.
Chemical Property Profile of Phenylketoisophosphamide
Property Insights of Phenylketoisophosphamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylketoisophosphamide. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylketoisophosphamide. Following Lipinski's Rule of Five, Phenylketoisophosphamide has 2 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 Phenylketoisophosphamide?
The CAS number of Phenylketoisophosphamide is 100993-69-9.
What is the molecular formula of Phenylketoisophosphamide?
The molecular formula of Phenylketoisophosphamide is C13H19Cl2N2O3P.
What is the molecular weight of Phenylketoisophosphamide?
The molecular weight of Phenylketoisophosphamide is 352.05 g/mol.
Where can I buy Phenylketoisophosphamide?
You can request a quote for Phenylketoisophosphamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylketoisophosphamide?
Yes, KEHONG BIO provides custom synthesis services for Phenylketoisophosphamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.