司泊瓜素-15-磷酸酯
TL;DR: 司泊瓜素-15-磷酸酯 (CAS 90986-07-5) is a chemical compound with molecular formula C17H41Cl3N7NaO7P+ and molecular weight 614.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
司泊瓜素-15-磷酸酯
sodium;[1-[[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]amino]-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] dihydrogen phosphate;trihydrochloride
Also Known As: Spergualin-15-phosphate, (-)-15-Deoxyspergualin trihydrochloride, Heptanamide, 7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-3-(phosphonooxy)-, monosodium salt, trihydrochloride, heptanamide, n-[2-[[4-[(3-aminopropyl)amino]butyl]amino]-1-hydroxy-2-oxoethyl]-7-[(diaminomethylene)amino]-3-(phosphonooxy)-, sodium salt, hydrochloride(1:1:3), sodium;[1-[[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]amino]-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] dihydrogen phosphate;trihydrochloride
| Molecular Formula | C17H41Cl3N7NaO7P+ |
|---|---|
| Molecular Weight | 614.18 g/mol |
| LogP | -4.1631 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 614.1768 |
| Heavy Atoms | 36 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 90986-07-5 |
|---|---|
| SMILES | C(CCN=C(N)N)CC(CC(=O)NC(C(=O)NCCCCNCCCN)O)OP(=O)(O)O.[Na+].Cl.Cl.Cl |
| InChIKey | FRVIHFHHVJBWQF-UHFFFAOYSA-N |
Product Overview
司泊瓜素-15-磷酸酯 (CAS 90986-07-5), with molecular formula C17H41Cl3N7NaO7P+ and molecular weight 614.18 g/mol. IUPAC: sodium;[1-[[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]amino]-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] dihydrogen phosphate;trihydrochloride.
Chemical Property Profile of 司泊瓜素-15-磷酸酯
Property Insights of 司泊瓜素-15-磷酸酯
The XLogP value of -4.1631 indicates that 司泊瓜素-15-磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting 司泊瓜素-15-磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 司泊瓜素-15-磷酸酯 has 12 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 司泊瓜素-15-磷酸酯?
The CAS number of 司泊瓜素-15-磷酸酯 is 90986-07-5.
What is the molecular formula of 司泊瓜素-15-磷酸酯?
The molecular formula of 司泊瓜素-15-磷酸酯 is C17H41Cl3N7NaO7P+.
What is the molecular weight of 司泊瓜素-15-磷酸酯?
The molecular weight of 司泊瓜素-15-磷酸酯 is 614.18 g/mol.
Where can I buy 司泊瓜素-15-磷酸酯?
You can request a quote for 司泊瓜素-15-磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 司泊瓜素-15-磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 司泊瓜素-15-磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.