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[(Octylimino)bis(methylene)]bisphosphonic acid
TL;DR: [(Octylimino)bis(methylene)]bisphosphonic acid (CAS 5995-31-3) is a chemical compound with molecular formula C10H25NO6P2 and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[octyl(phosphonomethyl)amino]methylphosphonic acid
Also Known As: [(octylimino)bis(methylene)]bisphosphonic acid|bis(phosphonomethyl)octylamine|[(octylimino)bis(methylene)]bis(phosphonic acid)|N,N-Bis(phosphonomethyl)octylamine|Octyliminobismethylenebisphosphonic acid|((Octylimino)bis(methylene))bisphosphonic acid|N,N-Bis(phosphonomethyl)-1-octaneamine|(Octyliminobismethylene)bisphosphonic acid|Octylamino-N,N-bis(methylphosphonic acid)|Octyliminobis(methylene)bisphosphonic acid|n-octylamino-N,N-bis(methylphosphonic acid)|[octyl(phosphonomethyl)amino]methylphosphonic acid|(OCTYL(PHOSPHONOMETHYL)AMINO)METHYLPHOSPHONIC ACID|[(Octylazanediyl)bis(methylene)]bis(phosphonic acid)|{[octyl(phosphonomethyl)amino]methyl}phosphonic acid|P,P'-[(Octylimino)bis(methylene)]bis[phosphonic acid]|Phosphonic acid, P,P'-[(octylimino)bis(methylene)]bis-|EINECS 227-830-8|YUABCDNZADIENZ-UHFFFAOYSA-N
| Molecular Formula | C10H25NO6P2 |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 317.11572 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 5995-31-3 |
|---|---|
| SMILES | CCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O |
| InChIKey | YUABCDNZADIENZ-UHFFFAOYSA-N |
Product Overview
[(Octylimino)bis(methylene)]bisphosphonic acid (CAS 5995-31-3), with molecular formula C10H25NO6P2 and molecular weight 317.12 g/mol. IUPAC: [octyl(phosphonomethyl)amino]methylphosphonic acid.
Chemical Property Profile of [(Octylimino)bis(methylene)]bisphosphonic acid
Property Insights of [(Octylimino)bis(methylene)]bisphosphonic acid
The XLogP value of -2.1 indicates that [(Octylimino)bis(methylene)]bisphosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Octylimino)bis(methylene)]bisphosphonic acid. Following Lipinski's Rule of Five, [(Octylimino)bis(methylene)]bisphosphonic acid has 4 hydrogen bond donor(s) and 7 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 [(Octylimino)bis(methylene)]bisphosphonic acid?
The CAS number of [(Octylimino)bis(methylene)]bisphosphonic acid is 5995-31-3.
What is the molecular formula of [(Octylimino)bis(methylene)]bisphosphonic acid?
The molecular formula of [(Octylimino)bis(methylene)]bisphosphonic acid is C10H25NO6P2.
What is the molecular weight of [(Octylimino)bis(methylene)]bisphosphonic acid?
The molecular weight of [(Octylimino)bis(methylene)]bisphosphonic acid is 317.12 g/mol.
Where can I buy [(Octylimino)bis(methylene)]bisphosphonic acid?
You can request a quote for [(Octylimino)bis(methylene)]bisphosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Octylimino)bis(methylene)]bisphosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for [(Octylimino)bis(methylene)]bisphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.