4-Hydroperoxytrilophosphamide
TL;DR: 4-Hydroperoxytrilophosphamide (CAS 39800-25-4) is a chemical compound with molecular formula C9H18Cl3N2O4P and molecular weight 354.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,3-tris(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: 4-Hydroperoxytrilophosphamide, J2.235.738G, 2H-1,2-Oxazaphosphorine, hydroperoxide deriv., Hydroperoxide,3,2-oxazaphosphorin-4-yl, P-oxide, 2H-1,3,2-Oxazaphosphorine, hydroperoxide deriv.
| Molecular Formula | C9H18Cl3N2O4P |
|---|---|
| Molecular Weight | 354.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.007 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 39800-25-4 |
|---|---|
| SMILES | C1COP(=O)(N(C1OO)CCCl)N(CCCl)CCCl |
| InChIKey | BRSMEJWIFJLJCW-UHFFFAOYSA-N |
Product Overview
4-Hydroperoxytrilophosphamide (CAS 39800-25-4), with molecular formula C9H18Cl3N2O4P and molecular weight 354.01 g/mol. IUPAC: N,N,3-tris(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine.
Chemical Property Profile of 4-Hydroperoxytrilophosphamide
Property Insights of 4-Hydroperoxytrilophosphamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroperoxytrilophosphamide. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroperoxytrilophosphamide. Following Lipinski's Rule of Five, 4-Hydroperoxytrilophosphamide has 1 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 4-Hydroperoxytrilophosphamide?
The CAS number of 4-Hydroperoxytrilophosphamide is 39800-25-4.
What is the molecular formula of 4-Hydroperoxytrilophosphamide?
The molecular formula of 4-Hydroperoxytrilophosphamide is C9H18Cl3N2O4P.
What is the molecular weight of 4-Hydroperoxytrilophosphamide?
The molecular weight of 4-Hydroperoxytrilophosphamide is 354.01 g/mol.
Where can I buy 4-Hydroperoxytrilophosphamide?
You can request a quote for 4-Hydroperoxytrilophosphamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroperoxytrilophosphamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroperoxytrilophosphamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.