4-酮异环磷酰胺
TL;DR: 4-酮异环磷酰胺 (CAS 42436-20-4) is a chemical compound with molecular formula C7H13Cl2N2O3P and molecular weight 274.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-酮异环磷酰胺
3-(2-chloroethyl)-2-(2-chloroethylamino)-2-oxo-1,3,2λ5-oxazaphosphinan-4-one
Also Known As: 4-Ketoifosfamide, rac-4-ketoifosfamide, (Ethoxycarbonyl)glycine, 4-OXOISOPHOSPHAMIDE, 4-KETOISOPHOSPHAMIDE
| Molecular Formula | C7H13Cl2N2O3P |
|---|---|
| Molecular Weight | 274.00 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0041 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 42436-20-4 |
|---|---|
| SMILES | C1COP(=O)(N(C1=O)CCCl)NCCCl |
| InChIKey | PEZLCTIXHCOEOG-UHFFFAOYSA-N |
Product Overview
4-酮异环磷酰胺 (CAS 42436-20-4), with molecular formula C7H13Cl2N2O3P and molecular weight 274.00 g/mol. IUPAC: 3-(2-chloroethyl)-2-(2-chloroethylamino)-2-oxo-1,3,2λ5-oxazaphosphinan-4-one.
Chemical Property Profile of 4-酮异环磷酰胺
Property Insights of 4-酮异环磷酰胺
The XLogP value of -0.2 indicates that 4-酮异环磷酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.6 Ų, 4-酮异环磷酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-酮异环磷酰胺 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 4-酮异环磷酰胺?
The CAS number of 4-酮异环磷酰胺 is 42436-20-4.
What is the molecular formula of 4-酮异环磷酰胺?
The molecular formula of 4-酮异环磷酰胺 is C7H13Cl2N2O3P.
What is the molecular weight of 4-酮异环磷酰胺?
The molecular weight of 4-酮异环磷酰胺 is 274.00 g/mol.
Where can I buy 4-酮异环磷酰胺?
You can request a quote for 4-酮异环磷酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-酮异环磷酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-酮异环磷酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.