(3-Phenylpropyl)aminomethylene-1,1-bisphosphonate
TL;DR: (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate (CAS 634612-19-4) is a chemical compound with molecular formula C10H17NO6P2 and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-phenylpropylamino)-phosphonomethyl]phosphonic acid
Also Known As: (3-phenylpropyl)aminomethylene-1,1-bisphosphonate, Phosphonic acid, [[(3-phenylpropyl)amino]methylene]bis-, [(3-phenylpropylamino)-phosphonomethyl]phosphonic acid, {[(3-phenylpropyl)amino]methanediyl}bis(phosphonic acid)
| Molecular Formula | C10H17NO6P2 |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.0531 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 634612-19-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCNC(P(=O)(O)O)P(=O)(O)O |
| InChIKey | DWGKGCWXCPLGQR-UHFFFAOYSA-N |
Product Overview
(3-Phenylpropyl)aminomethylene-1,1-bisphosphonate (CAS 634612-19-4), with molecular formula C10H17NO6P2 and molecular weight 309.05 g/mol. IUPAC: [(3-phenylpropylamino)-phosphonomethyl]phosphonic acid.
Chemical Property Profile of (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate
Property Insights of (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate
The XLogP value of -3.6 indicates that (3-Phenylpropyl)aminomethylene-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 (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate. Following Lipinski's Rule of Five, (3-Phenylpropyl)aminomethylene-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 (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate?
The CAS number of (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate is 634612-19-4.
What is the molecular formula of (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate?
The molecular formula of (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate is C10H17NO6P2.
What is the molecular weight of (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate?
The molecular weight of (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate is 309.05 g/mol.
Where can I buy (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate?
You can request a quote for (3-Phenylpropyl)aminomethylene-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 (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenylpropyl)aminomethylene-1,1-bisphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.