Spermexatin
TL;DR: Spermexatin (CAS 117680-04-3) is a chemical compound with molecular formula C22H40N6O9 and molecular weight 532.2857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(hydroxymethyl)-N-[4-[[4-[hydroxy(methyl)amino]-4-oxobutanoyl]-[3-[[4-(hydroxymethylamino)-4-oxobutanoyl]amino]propyl]amino]butyl]butanediamide
Also Known As: Spermexatin, s-n-pentylisothiourea, N(1),N(4),N(8)-Tris(N-methyl-N-hydroxysuccinamoyl)spermidine, N'-(hydroxymethyl)-N-[4-[[4-[hydroxy(methyl)amino]-4-oxobutanoyl]-[3-[[4-(hydroxymethylamino)-4-oxobutanoyl]amino]propyl]amino]butyl]butanediamide, N-Hydroxy-N'-(4-((4-(hydroxymethylamino)-1,4-dioxobutyl)amino)butyl)-N'-(3-((4-(hydroxymethylamino)-1,4-dioxobutyl)amino)propyl)-N-methylbutanediamide
Technical Specifications
| Molecular Formula | C22H40N6O9 |
| Molecular Weight | 532.2857 g/mol |
| XLogP | -4.5 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 532.2857 Da |
| Heavy Atoms | 37 |
| Complexity | 750.0 |
| SMILES | CN(C(=O)CCC(=O)N(CCCCNC(=O)CCC(=O)NCO)CCCNC(=O)CCC(=O)NCO)O |
| InChIKey | NMUUMPLEEBPKPW-UHFFFAOYSA-N |
Chemical Property Profile of Spermexatin
Property Insights of Spermexatin
The XLogP value of -4.5 indicates that Spermexatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting Spermexatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spermexatin has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Spermexatin?
The CAS number of Spermexatin is 117680-04-3.
What is the molecular formula of Spermexatin?
The molecular formula of Spermexatin is C22H40N6O9.
What is the molecular weight of Spermexatin?
The molecular weight of Spermexatin is 532.2857 g/mol.
Where can I buy Spermexatin?
You can request a quote for Spermexatin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Spermexatin?
Yes, CoreyChem provides custom synthesis services for Spermexatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.