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[(Heptylamino)methylene]-1,1-bisphosphonate
TL;DR: [(Heptylamino)methylene]-1,1-bisphosphonate (CAS 7149-81-7) is a chemical compound with molecular formula C8H21NO6P2 and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(heptylamino)-phosphonomethyl]phosphonic acid
Also Known As: KST-1A7784, [(heptylamino)methylene]-1,1-bisphosphonate, [(heptylamino)methanediyl]bis(phosphonic acid), [(Heptylamino)methylene]bis(phosphonic acid), [(heptylamino)-phosphonomethyl]phosphonic acid
| Molecular Formula | C8H21NO6P2 |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 289.0844 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 7149-81-7 |
|---|---|
| SMILES | CCCCCCCNC(P(=O)(O)O)P(=O)(O)O |
| InChIKey | XKNJFNYUUOXFDP-UHFFFAOYSA-N |
Product Overview
[(Heptylamino)methylene]-1,1-bisphosphonate (CAS 7149-81-7), with molecular formula C8H21NO6P2 and molecular weight 289.08 g/mol. IUPAC: [(heptylamino)-phosphonomethyl]phosphonic acid.
Chemical Property Profile of [(Heptylamino)methylene]-1,1-bisphosphonate
Property Insights of [(Heptylamino)methylene]-1,1-bisphosphonate
The XLogP value of -3.0 indicates that [(Heptylamino)methylene]-1,1-bisphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Heptylamino)methylene]-1,1-bisphosphonate. Following Lipinski's Rule of Five, [(Heptylamino)methylene]-1,1-bisphosphonate has 5 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 [(Heptylamino)methylene]-1,1-bisphosphonate?
The CAS number of [(Heptylamino)methylene]-1,1-bisphosphonate is 7149-81-7.
What is the molecular formula of [(Heptylamino)methylene]-1,1-bisphosphonate?
The molecular formula of [(Heptylamino)methylene]-1,1-bisphosphonate is C8H21NO6P2.
What is the molecular weight of [(Heptylamino)methylene]-1,1-bisphosphonate?
The molecular weight of [(Heptylamino)methylene]-1,1-bisphosphonate is 289.08 g/mol.
Where can I buy [(Heptylamino)methylene]-1,1-bisphosphonate?
You can request a quote for [(Heptylamino)methylene]-1,1-bisphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Heptylamino)methylene]-1,1-bisphosphonate?
Yes, KEHONG BIO provides custom synthesis services for [(Heptylamino)methylene]-1,1-bisphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.