N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester)
TL;DR: N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester) (CAS 92933-47-6) is a chemical compound with molecular formula C15H28N2O6P2 and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(diethoxyphosphoryl)methyl]-4-methylpyridin-2-amine
Also Known As: benzothiazole-2-dithiocarboxylate methyl ester, N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester), N-[bis(diethoxyphosphoryl)methyl]-4-methylpyridin-2-amine, tetraethyl{[(4-methylpyridin-2-yl)amino]methanediyl}bis(phosphonate), Tetraethyl {[(4-methylpyridin-2-yl)amino]methylene}bis(phosphonate)
| Molecular Formula | C15H28N2O6P2 |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 394.14227 |
| Heavy Atoms | 25 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 92933-47-6 |
|---|---|
| SMILES | CCOP(=O)(C(NC1=NC=CC(=C1)C)P(=O)(OCC)OCC)OCC |
| InChIKey | UBOHUFJTZHSLQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester) (CAS 92933-47-6), with molecular formula C15H28N2O6P2 and molecular weight 394.14 g/mol. IUPAC: N-[bis(diethoxyphosphoryl)methyl]-4-methylpyridin-2-amine.
Chemical Property Profile of N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester)
Property Insights of N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester). The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester). Following Lipinski's Rule of Five, N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester) has 1 hydrogen bond donor(s) and 8 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 N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester)?
The CAS number of N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester) is 92933-47-6.
What is the molecular formula of N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester)?
The molecular formula of N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester) is C15H28N2O6P2.
What is the molecular weight of N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester)?
The molecular weight of N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester) is 394.14 g/mol.
Where can I buy N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester)?
You can request a quote for N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester)?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(4-picolyl)) aminomethylene bisphosphonate (tetraethyl ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.