Spergualin
TL;DR: Spergualin (CAS 80902-43-8) is a chemical compound with molecular formula C17H37N7O4 and molecular weight 403.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[7-(diaminomethylideneamino)-3-hydroxyheptanoyl]amino]methyl N-[4-(3-aminopropylamino)butyl]carbamate
Also Known As: Spergualin, Antibiotic BMG 162aF2, 1-amino-19-guanidino-11,15-dihydroxy-4,9,12-triazanonadecane-10,13-dione, [[7-(diaminomethylideneamino)-3-hydroxyheptanoyl]amino]methyl N-[4-(3-aminopropylamino)butyl]carbamate, Heptanamide, 7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-3-hydroxy-
| Molecular Formula | C17H37N7O4 |
|---|---|
| Molecular Weight | 403.29 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 403.2907 |
| Heavy Atoms | 28 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 80902-43-8 |
|---|---|
| SMILES | C(CCN=C(N)N)CC(CC(=O)NCOC(=O)NCCCCNCCCN)O |
| InChIKey | ITGHDQWXSGBIFJ-UHFFFAOYSA-N |
Product Overview
Spergualin (CAS 80902-43-8), with molecular formula C17H37N7O4 and molecular weight 403.29 g/mol. IUPAC: [[7-(diaminomethylideneamino)-3-hydroxyheptanoyl]amino]methyl N-[4-(3-aminopropylamino)butyl]carbamate.
Chemical Property Profile of Spergualin
Property Insights of Spergualin
The XLogP value of -2.1 indicates that Spergualin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Spergualin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spergualin has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spergualin?
The CAS number of Spergualin is 80902-43-8.
What is the molecular formula of Spergualin?
The molecular formula of Spergualin is C17H37N7O4.
What is the molecular weight of Spergualin?
The molecular weight of Spergualin is 403.29 g/mol.
Where can I buy Spergualin?
You can request a quote for Spergualin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spergualin?
Yes, KEHONG BIO provides custom synthesis services for Spergualin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.