Spermexatol
TL;DR: Spermexatol (CAS 117680-13-4) is a chemical compound with molecular formula C26H34N4O9 and molecular weight 546.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N'-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-N-hydroxy-N-methylbutanediamide
Also Known As: Spermexatol, N(4)-(N-Methyl-N-hydroxysuccinamoyl)-N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine, N'-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N'-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-N-hydroxy-N-methylbutanediamide, N-(4-((2,3-Dihydroxybenzoyl)amino)butyl)-N-(3-((2,3-dihydroxybenzoyl)amino)propyl)-N'-hydroxy-N'-methylbutanediamide, Butanediamide, N-(4-((2,3-dihydroxybenzoyl)amino)butyl)-N-(3-((2,3-dihydroxybenzoyl)amino)propyl)-N'-hydroxy-N'-methyl-
| Molecular Formula | C26H34N4O9 |
|---|---|
| Molecular Weight | 546.23 g/mol |
| LogP | 1.2955 |
| Topological Polar Surface Area | 199.97 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 546.2326 |
| Heavy Atoms | 39 |
| Complexity | 1170.1124 |
Chemical Identifiers
| CAS Number | 117680-13-4 |
|---|---|
| SMILES | CN(C(=O)CCC(=O)N(CCCCNC(=O)C1=C(C(=CC=C1)O)O)CCCNC(=O)C2=C(C(=CC=C2)O)O)O |
Product Overview
Spermexatol (CAS 117680-13-4), with molecular formula C26H34N4O9 and molecular weight 546.23 g/mol. IUPAC: N'-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N'-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-N-hydroxy-N-methylbutanediamide.
Chemical Property Profile of Spermexatol
Property Insights of Spermexatol
The XLogP value of 1.2955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spermexatol. The TPSA of 199.97 Ų indicates high polarity, suggesting Spermexatol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spermexatol 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 Spermexatol?
The CAS number of Spermexatol is 117680-13-4.
What is the molecular formula of Spermexatol?
The molecular formula of Spermexatol is C26H34N4O9.
What is the molecular weight of Spermexatol?
The molecular weight of Spermexatol is 546.23 g/mol.
Where can I buy Spermexatol?
You can request a quote for Spermexatol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spermexatol?
Yes, KEHONG BIO provides custom synthesis services for Spermexatol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.