RefChem:319117
TL;DR: RefChem:319117 (CAS 21217-12-9) is a chemical compound with molecular formula C18H37Br2N4O2P and molecular weight 530.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-[[phenoxy-[3-(trimethylazaniumyl)propylamino]phosphoryl]amino]propyl]azanium dibromide
Also Known As: H.C. 9004, (Phosphinicobis(iminotrimethylene))bis(trimethylammonium bromide) phenyl ester, Ammonium, (phosphinicobis(iminotrimethylene))bis(trimethyl-, dibromide, phenyl ester, 3,3'-[(Phenoxyphosphoryl)bis(azanediyl)]bis(N,N,N-trimethylpropan-1-aminium) dibromide, 3,3'-[(Phenoxyphosphoryl)diazanediyl]bis(N,N,N-trimethylpropan-1-aminium) dibromide
| Molecular Formula | C18H37Br2N4O2P |
|---|---|
| Molecular Weight | 530.10 g/mol |
| LogP | -3.45 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 532.10004 |
| Heavy Atoms | 27 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 21217-12-9 |
|---|---|
| SMILES | C[N+](C)(C)CCCNP(=O)(NCCC[N+](C)(C)C)OC1=CC=CC=C1.[Br-].[Br-] |
| InChIKey | RDXBXTYNHKPYJF-UHFFFAOYSA-L |
Product Overview
RefChem:319117 (CAS 21217-12-9), with molecular formula C18H37Br2N4O2P and molecular weight 530.10 g/mol. IUPAC: trimethyl-[3-[[phenoxy-[3-(trimethylazaniumyl)propylamino]phosphoryl]amino]propyl]azanium dibromide.
Chemical Property Profile of RefChem:319117
Property Insights of RefChem:319117
The XLogP value of -3.45 indicates that RefChem:319117 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.4 Ų, RefChem:319117 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319117 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:319117?
The CAS number of RefChem:319117 is 21217-12-9.
What is the molecular formula of RefChem:319117?
The molecular formula of RefChem:319117 is C18H37Br2N4O2P.
What is the molecular weight of RefChem:319117?
The molecular weight of RefChem:319117 is 530.10 g/mol.
Where can I buy RefChem:319117?
You can request a quote for RefChem:319117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319117?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.