![[(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea structure](/static/products/5394/53948-46-2.webp)
[(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea
TL;DR: [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea (CAS 53948-46-2) is a chemical compound with molecular formula C8H18Cl2N5O3P and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea
Also Known As: Hydroxy cyclophosphamide Semicarbazone, Hydroxy Cyclophosphamide Semicarbazone (80%), [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea, (3E)-3-(2-Carbamoylhydrazinylidene)propyl N,N-bis(2-chloroethyl)phosphorodiamidate, N,N-bis(2-chloroethyl)phosphorodiamidic Acid 3-[2-(Aminocarbonyl)hydrazinylidene]propyl Ester
| Molecular Formula | C8H18Cl2N5O3P |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 333.05243 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 53948-46-2 |
|---|---|
| SMILES | C(COP(=O)(N)N(CCCl)CCCl)/C=N/NC(=O)N |
| InChIKey | DDSWASMKEIRTLV-YIXHJXPBSA-N |
Product Overview
[(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea (CAS 53948-46-2), with molecular formula C8H18Cl2N5O3P and molecular weight 333.05 g/mol. IUPAC: [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea.
Chemical Property Profile of [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea
Property Insights of [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea
The XLogP value of -1.3 indicates that [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea. Following Lipinski's Rule of Five, [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea has 3 hydrogen bond donor(s) and 6 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 [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea?
The CAS number of [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea is 53948-46-2.
What is the molecular formula of [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea?
The molecular formula of [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea is C8H18Cl2N5O3P.
What is the molecular weight of [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea?
The molecular weight of [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea is 333.05 g/mol.
Where can I buy [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea?
You can request a quote for [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea?
Yes, KEHONG BIO provides custom synthesis services for [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.