RefChem:319111
TL;DR: RefChem:319111 (CAS 19143-09-0) is a chemical compound with molecular formula C34H52Br2N5O4P and molecular weight 783.21234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[3-[[[3-[benzyl(diethyl)azaniumyl]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-diethylazanium dibromide
Also Known As: H.C. 9013, (Phosphinicobis(iminotrimethylene))bis(benzyldiethylammonium bromide) p-nitrophenyl ester, Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldiethyl-, dibromide, p-nitrophenyl ester, 3,3'-{[(4-Nitrophenoxy)phosphoryl]bis(azanediyl)}bis(N-benzyl-N,N-diethylpropan-1-aminium) dibromide, 3,3'-{[(4-Nitrophenoxy)phosphoryl]diazanediyl}bis(N-benzyl-N,N-diethylpropan-1-aminium) dibromide
Technical Specifications
| Molecular Formula | C34H52Br2N5O4P |
| Molecular Weight | 783.21234 g/mol |
| XLogP | 1.16 |
| Topological Polar Surface Area (TPSA) | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 785.2103 Da |
| Heavy Atoms | 46 |
| Complexity | 795.0 |
| SMILES | CC[N+](CC)(CCCNP(=O)(NCCC[N+](CC)(CC)CC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3.[Br-].[Br-] |
| InChIKey | IIBSXRUONXELFM-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:319111
Property Insights of RefChem:319111
The XLogP value of 1.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319111. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319111. Following Lipinski's Rule of Five, RefChem:319111 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:319111?
The CAS number of RefChem:319111 is 19143-09-0.
What is the molecular formula of RefChem:319111?
The molecular formula of RefChem:319111 is C34H52Br2N5O4P.
What is the molecular weight of RefChem:319111?
The molecular weight of RefChem:319111 is 783.21234 g/mol.
Where can I buy RefChem:319111?
You can request a quote for RefChem:319111 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:319111?
Yes, CoreyChem provides custom synthesis services for RefChem:319111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.