4-Glutathionyl cyclophosphamide
TL;DR: 4-Glutathionyl cyclophosphamide (CAS 77273-67-7) is a chemical compound with molecular formula C17H30Cl2N5O8PS and molecular weight 565.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[[3-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: 4-Glutathionyl cyclophosphamide, 2-amino-5-[[3-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2, 2-amino-5-[[1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphosphinan-4-yl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid, (2S)-2-Amino-5-[[(2R)-3-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]sulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, 2-amino-4-((2-((2-(bis(2-chloroethyl)amino)-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl)sulfanyl)-1-((carboxymethyl)-C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl)butanoic acid
| Molecular Formula | C17H30Cl2N5O8PS |
|---|---|
| Molecular Weight | 565.09 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 565.09296 |
| Heavy Atoms | 34 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 77273-67-7 |
|---|---|
| SMILES | C1COP(=O)(NC1SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)N(CCCl)CCCl |
| InChIKey | CXEDBYAXQXFDHD-UHFFFAOYSA-N |
Product Overview
4-Glutathionyl cyclophosphamide (CAS 77273-67-7), with molecular formula C17H30Cl2N5O8PS and molecular weight 565.09 g/mol. IUPAC: 2-amino-5-[[3-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 4-Glutathionyl cyclophosphamide
Property Insights of 4-Glutathionyl cyclophosphamide
The XLogP value of -3.5 indicates that 4-Glutathionyl cyclophosphamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.0 Ų indicates high polarity, suggesting 4-Glutathionyl cyclophosphamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Glutathionyl cyclophosphamide has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Glutathionyl cyclophosphamide?
The CAS number of 4-Glutathionyl cyclophosphamide is 77273-67-7.
What is the molecular formula of 4-Glutathionyl cyclophosphamide?
The molecular formula of 4-Glutathionyl cyclophosphamide is C17H30Cl2N5O8PS.
What is the molecular weight of 4-Glutathionyl cyclophosphamide?
The molecular weight of 4-Glutathionyl cyclophosphamide is 565.09 g/mol.
Where can I buy 4-Glutathionyl cyclophosphamide?
You can request a quote for 4-Glutathionyl cyclophosphamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Glutathionyl cyclophosphamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Glutathionyl cyclophosphamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.