![[2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid structure](/static/products/6980/69804-02-0.webp)
[2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid
TL;DR: [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid (CAS 69804-02-0) is a chemical compound with molecular formula C13H23N2O3PS and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid
Also Known As: [2-(1-adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid|[2-(1-adamantylmethylamino)-2-imino-ethyl]sulfanylphosphonic acid|S-(2-((1-Adamantylmethyl)amino)-2-iminoethyl) dihydrogen thiophosphate|S-(N-(1-Adamantylmethylamidino)methyl)phosphorothioate monosodium salt|Phosphorothioic acid, S-(N-(1-adamantylmethylamidino)methyl) ester, monosodium salt
| Molecular Formula | C13H23N2O3PS |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.1167 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 69804-02-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CN=C(CSP(=O)(O)O)N |
| InChIKey | DDSASQCVFLLBFM-UHFFFAOYSA-N |
Product Overview
[2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid (CAS 69804-02-0), with molecular formula C13H23N2O3PS and molecular weight 318.12 g/mol. IUPAC: [2-(1-adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid.
Chemical Property Profile of [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid
Property Insights of [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid. Following Lipinski's Rule of Five, [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid has 3 hydrogen bond donor(s) and 5 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 [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid?
The CAS number of [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid is 69804-02-0.
What is the molecular formula of [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid?
The molecular formula of [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid is C13H23N2O3PS.
What is the molecular weight of [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid?
The molecular weight of [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid is 318.12 g/mol.
Where can I buy [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid?
You can request a quote for [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for [2-(1-Adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.