RefChem:319114
TL;DR: RefChem:319114 (CAS 21078-16-0) is a chemical compound with molecular formula C30H44Br2N5O4P and molecular weight 727.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[3-[[[3-[benzyl(dimethyl)azaniumyl]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-dimethylazanium dibromide
Also Known As: H.C. 9010, (Phosphinicobis(iminotrimethylene))bis(benzyldimethylammonium bromide) p-nitrophenyl ester, Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldimethyl-, dibromide, p-nitrophenyl ester, 3,3'-{[(4-Nitrophenoxy)phosphoryl]bis(azanediyl)}bis(N-benzyl-N,N-dimethylpropan-1-aminium) dibromide, 3,3'-{[(4-Nitrophenoxy)phosphoryl]diazanediyl}bis(N-benzyl-N,N-dimethylpropan-1-aminium) dibromide
| Molecular Formula | C30H44Br2N5O4P |
|---|---|
| Molecular Weight | 727.15 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 729.1477 |
| Heavy Atoms | 42 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 21078-16-0 |
|---|---|
| SMILES | C[N+](C)(CCCNP(=O)(NCCC[N+](C)(C)CC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3.[Br-].[Br-] |
| InChIKey | SRWJJMCLLDBPSC-UHFFFAOYSA-L |
Product Overview
RefChem:319114 (CAS 21078-16-0), with molecular formula C30H44Br2N5O4P and molecular weight 727.15 g/mol. IUPAC: benzyl-[3-[[[3-[benzyl(dimethyl)azaniumyl]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-dimethylazanium dibromide.
Chemical Property Profile of RefChem:319114
Property Insights of RefChem:319114
The XLogP value of -0.4 indicates that RefChem:319114 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319114. Following Lipinski's Rule of Five, RefChem:319114 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:319114?
The CAS number of RefChem:319114 is 21078-16-0.
What is the molecular formula of RefChem:319114?
The molecular formula of RefChem:319114 is C30H44Br2N5O4P.
What is the molecular weight of RefChem:319114?
The molecular weight of RefChem:319114 is 727.15 g/mol.
Where can I buy RefChem:319114?
You can request a quote for RefChem:319114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319114?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.