4-Hydroperoxycyclophosphamide
TL;DR: 4-Hydroperoxycyclophosphamide (CAS 39800-16-3) is a chemical compound with molecular formula C7H15Cl2N2O4P and molecular weight 292.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: 4-Hydroperoxy cyclophosphamide, 4-Hydroperoxycyclophosphamide, PERFOSFAMIDE, 4-Hydroperoxycyclofosfamide, 4-OOH Cyclophosphamide
| Molecular Formula | C7H15Cl2N2O4P |
|---|---|
| Molecular Weight | 292.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.01465 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 39800-16-3 |
|---|---|
| SMILES | C1COP(=O)(NC1OO)N(CCCl)CCCl |
| InChIKey | VPAWVRUHMJVRHU-UHFFFAOYSA-N |
Product Overview
4-Hydroperoxycyclophosphamide (CAS 39800-16-3), with molecular formula C7H15Cl2N2O4P and molecular weight 292.01 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine.
Chemical Property Profile of 4-Hydroperoxycyclophosphamide
Property Insights of 4-Hydroperoxycyclophosphamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroperoxycyclophosphamide. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroperoxycyclophosphamide. Following Lipinski's Rule of Five, 4-Hydroperoxycyclophosphamide has 2 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-Hydroperoxycyclophosphamide?
The CAS number of 4-Hydroperoxycyclophosphamide is 39800-16-3.
What is the molecular formula of 4-Hydroperoxycyclophosphamide?
The molecular formula of 4-Hydroperoxycyclophosphamide is C7H15Cl2N2O4P.
What is the molecular weight of 4-Hydroperoxycyclophosphamide?
The molecular weight of 4-Hydroperoxycyclophosphamide is 292.01 g/mol.
Where can I buy 4-Hydroperoxycyclophosphamide?
You can request a quote for 4-Hydroperoxycyclophosphamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroperoxycyclophosphamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroperoxycyclophosphamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.