Spermexatin
TL;DR: Spermexatin (CAS 117680-04-3) is a chemical compound with molecular formula C22H40N6O9 and molecular weight 532.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C22H40N6O9 |
|---|---|
| Molecular Weight | 532.29 g/mol |
| LogP | -2.4621 |
| Topological Polar Surface Area | 217.71 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 532.2857 |
| Heavy Atoms | 37 |
| Complexity | 748.15314 |
Chemical Identifiers
| CAS Number | 117680-04-3 |
|---|---|
| SMILES | CN(C(=O)CCC(=O)N(CCCCNC(=O)CCC(=O)NCO)CCCNC(=O)CCC(=O)NCO)O |
Product Overview
Spermexatin (CAS 117680-04-3), with molecular formula C22H40N6O9 and molecular weight 532.29 g/mol. IUPAC: N'-(hydroxymethyl)-N-[4-[[4-[hydroxy(methyl)amino]-4-oxobutanoyl]-[3-[[4-(hydroxymethylamino)-4-oxobutanoyl]amino]propyl]amino]butyl]butanediamide.
Chemical Property Profile of Spermexatin
Property Insights of Spermexatin
The XLogP value of -2.4621 indicates that Spermexatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.71 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
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 532.29 g/mol.
Where can I buy Spermexatin?
You can request a quote for Spermexatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spermexatin?
Yes, KEHONG BIO provides custom synthesis services for Spermexatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.