S-(2-((aminoheptyl)amino)ethyl)phosphorothiate
TL;DR: S-(2-((aminoheptyl)amino)ethyl)phosphorothiate (CAS 120182-46-9) is a chemical compound with molecular formula C9H23N2O3PS and molecular weight 270.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-dihydroxyphosphinothioyloxyethyl)heptane-1,7-diamine
Also Known As: S-Ahep, S-(2-((Aminoheptyl)amino)ethyl)phosphorothiate, S-2-(7-Aminoheptylamino)ethylphosphorothiate, N'-(2-dihydroxyphosphinothioyloxyethyl)heptane-1,7-diamine, O-{2-[(7-Aminoheptyl)amino]ethyl} dihydrogen phosphorothioate
| Molecular Formula | C9H23N2O3PS |
|---|---|
| Molecular Weight | 270.12 g/mol |
| LogP | 0.7109 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 270.1167 |
| Heavy Atoms | 16 |
| Complexity | 201.19312 |
Chemical Identifiers
| CAS Number | 120182-46-9 |
|---|---|
| SMILES | C(CCCN)CCCNCCOP(=S)(O)O |
Product Overview
S-(2-((aminoheptyl)amino)ethyl)phosphorothiate (CAS 120182-46-9), with molecular formula C9H23N2O3PS and molecular weight 270.12 g/mol. IUPAC: N'-(2-dihydroxyphosphinothioyloxyethyl)heptane-1,7-diamine.
Chemical Property Profile of S-(2-((aminoheptyl)amino)ethyl)phosphorothiate
Property Insights of S-(2-((aminoheptyl)amino)ethyl)phosphorothiate
The XLogP value of 0.7109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-((aminoheptyl)amino)ethyl)phosphorothiate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-((aminoheptyl)amino)ethyl)phosphorothiate. Following Lipinski's Rule of Five, S-(2-((aminoheptyl)amino)ethyl)phosphorothiate has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(2-((aminoheptyl)amino)ethyl)phosphorothiate?
The CAS number of S-(2-((aminoheptyl)amino)ethyl)phosphorothiate is 120182-46-9.
What is the molecular formula of S-(2-((aminoheptyl)amino)ethyl)phosphorothiate?
The molecular formula of S-(2-((aminoheptyl)amino)ethyl)phosphorothiate is C9H23N2O3PS.
What is the molecular weight of S-(2-((aminoheptyl)amino)ethyl)phosphorothiate?
The molecular weight of S-(2-((aminoheptyl)amino)ethyl)phosphorothiate is 270.12 g/mol.
Where can I buy S-(2-((aminoheptyl)amino)ethyl)phosphorothiate?
You can request a quote for S-(2-((aminoheptyl)amino)ethyl)phosphorothiate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-((aminoheptyl)amino)ethyl)phosphorothiate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-((aminoheptyl)amino)ethyl)phosphorothiate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.