![{[Benzyl(methyl)amino]methylene}bis(phosphonic acid) structure](/static/products/6840/68401-12-7.webp)
{[Benzyl(methyl)amino]methylene}bis(phosphonic acid)
TL;DR: {[Benzyl(methyl)amino]methylene}bis(phosphonic acid) (CAS 68401-12-7) is a chemical compound with molecular formula C9H15NO6P2 and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[benzyl(methyl)amino]-phosphonomethyl]phosphonic acid
Also Known As: {[Benzyl(methyl)amino]methylene}bis(phosphonic acid), [[benzyl(methyl)amino]-phosphonomethyl]phosphonic acid, [(Benzyl-methyl-amino)-methylene]-1,1-bisphosphonate, [(benzyl-methyl-amino)-phosphono-methyl]phosphonic Acid
| Molecular Formula | C9H15NO6P2 |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 0.7574 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.03748 |
| Heavy Atoms | 18 |
| Complexity | 459.09103 |
Chemical Identifiers
| CAS Number | 68401-12-7 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(P(=O)(O)O)P(=O)(O)O |
Product Overview
{[Benzyl(methyl)amino]methylene}bis(phosphonic acid) (CAS 68401-12-7), with molecular formula C9H15NO6P2 and molecular weight 295.04 g/mol. IUPAC: [[benzyl(methyl)amino]-phosphonomethyl]phosphonic acid.
Chemical Property Profile of {[Benzyl(methyl)amino]methylene}bis(phosphonic acid)
Property Insights of {[Benzyl(methyl)amino]methylene}bis(phosphonic acid)
The XLogP value of 0.7574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[Benzyl(methyl)amino]methylene}bis(phosphonic acid). The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for {[Benzyl(methyl)amino]methylene}bis(phosphonic acid). Following Lipinski's Rule of Five, {[Benzyl(methyl)amino]methylene}bis(phosphonic acid) has 4 hydrogen bond donor(s) and 3 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 {[Benzyl(methyl)amino]methylene}bis(phosphonic acid)?
The CAS number of {[Benzyl(methyl)amino]methylene}bis(phosphonic acid) is 68401-12-7.
What is the molecular formula of {[Benzyl(methyl)amino]methylene}bis(phosphonic acid)?
The molecular formula of {[Benzyl(methyl)amino]methylene}bis(phosphonic acid) is C9H15NO6P2.
What is the molecular weight of {[Benzyl(methyl)amino]methylene}bis(phosphonic acid)?
The molecular weight of {[Benzyl(methyl)amino]methylene}bis(phosphonic acid) is 295.04 g/mol.
Where can I buy {[Benzyl(methyl)amino]methylene}bis(phosphonic acid)?
You can request a quote for {[Benzyl(methyl)amino]methylene}bis(phosphonic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[Benzyl(methyl)amino]methylene}bis(phosphonic acid)?
Yes, KEHONG BIO provides custom synthesis services for {[Benzyl(methyl)amino]methylene}bis(phosphonic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.