Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate
TL;DR: Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate (CAS 90378-85-1) is a chemical compound with molecular formula C12H24NO4PS and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantylamino)ethylsulfanylphosphonic acid;hydrate
Also Known As: Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate, 2-(1-Adamantyl)aminoethanethiol hydrogen phosphate (ester) hydrate, 2-(1-adamantylamino)ethylsulfanylphosphonic acid hydrate, S-{2-[(Adamantan-1-yl)amino]ethyl} dihydrogen phosphorothioate--water (1/1), RefChem:340324
| Molecular Formula | C12H24NO4PS |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 1.55 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.11636 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 90378-85-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NCCSP(=O)(O)O.O |
| InChIKey | UOFFFUARLHFHDO-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate (CAS 90378-85-1), with molecular formula C12H24NO4PS and molecular weight 309.12 g/mol. IUPAC: 2-(1-adamantylamino)ethylsulfanylphosphonic acid;hydrate.
Chemical Property Profile of Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate
Property Insights of Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate
The XLogP value of 1.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate. Following Lipinski's Rule of Five, Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate has 4 hydrogen bond donor(s) and 6 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 Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate?
The CAS number of Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate is 90378-85-1.
What is the molecular formula of Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate?
The molecular formula of Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate is C12H24NO4PS.
What is the molecular weight of Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate?
The molecular weight of Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate is 309.12 g/mol.
Where can I buy Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate?
You can request a quote for Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.