Ethyleniminoifosfamide
TL;DR: Ethyleniminoifosfamide (CAS 29102-47-4) is a chemical compound with molecular formula C7H14ClN2O2P and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(aziridin-1-yl)-3-(2-chloroethyl)-1,3,2λ5-oxazaphosphinane 2-oxide
Also Known As: Ethyleniminoifosfamide, Ifosfamide Impurity 12, 2-(aziridin-1-yl)-3-(2-chloroethyl)-1,3,2, 2-(Aziridin-1-yl)-3-(2-chloroethyl)-1,3,2lambda5-oxazaphosphinane 2-oxide, 2-(aziridin-1-yl)-3-(2-chloroethyl)-1,3,2lambda5-oxazaphosphinane
| Molecular Formula | C7H14ClN2O2P |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.04814 |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 29102-47-4 |
|---|---|
| SMILES | C1CN(P(=O)(OC1)N2CC2)CCCl |
| InChIKey | ZIXPOIOWMASQOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyleniminoifosfamide (CAS 29102-47-4), with molecular formula C7H14ClN2O2P and molecular weight 224.05 g/mol. IUPAC: 2-(aziridin-1-yl)-3-(2-chloroethyl)-1,3,2λ5-oxazaphosphinane 2-oxide.
Chemical Property Profile of Ethyleniminoifosfamide
Property Insights of Ethyleniminoifosfamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyleniminoifosfamide. With a topological polar surface area (TPSA) of 32.6 Ų, Ethyleniminoifosfamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyleniminoifosfamide has 0 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 Ethyleniminoifosfamide?
The CAS number of Ethyleniminoifosfamide is 29102-47-4.
What is the molecular formula of Ethyleniminoifosfamide?
The molecular formula of Ethyleniminoifosfamide is C7H14ClN2O2P.
What is the molecular weight of Ethyleniminoifosfamide?
The molecular weight of Ethyleniminoifosfamide is 224.05 g/mol.
Where can I buy Ethyleniminoifosfamide?
You can request a quote for Ethyleniminoifosfamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyleniminoifosfamide?
Yes, KEHONG BIO provides custom synthesis services for Ethyleniminoifosfamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.