RefChem:319115
TL;DR: RefChem:319115 (CAS 21217-25-4) is a chemical compound with molecular formula C31H47Br2N4O2P and molecular weight 696.18 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-methylphenoxy)phosphoryl]amino]propyl]-dimethylazanium dibromide
Also Known As: H.C. 9009, (Phosphinicobis(iminotrimethylene))bis(benzyldimethylammonium bromide) p-tolyl ester, Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldimethyl-, dibromide, p-tolyl ester, 3,3'-{[(4-Methylphenoxy)phosphoryl]bis(azanediyl)}bis(N-benzyl-N,N-dimethylpropan-1-aminium) dibromide, 3,3'-{[(4-Methylphenoxy)phosphoryl]diazanediyl}bis(N-benzyl-N,N-dimethylpropan-1-aminium) dibromide
| Molecular Formula | C31H47Br2N4O2P |
|---|---|
| Molecular Weight | 696.18 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 698.1783 |
| Heavy Atoms | 40 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 21217-25-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OP(=O)(NCCC[N+](C)(C)CC2=CC=CC=C2)NCCC[N+](C)(C)CC3=CC=CC=C3.[Br-].[Br-] |
| InChIKey | SJRCRJHWTFRAMR-UHFFFAOYSA-L |
Product Overview
RefChem:319115 (CAS 21217-25-4), with molecular formula C31H47Br2N4O2P and molecular weight 696.18 g/mol. IUPAC: benzyl-[3-[[[3-[benzyl(dimethyl)azaniumyl]propylamino]-(4-methylphenoxy)phosphoryl]amino]propyl]-dimethylazanium dibromide.
Chemical Property Profile of RefChem:319115
Property Insights of RefChem:319115
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319115. With a topological polar surface area (TPSA) of 50.4 Ų, RefChem:319115 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319115 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:319115?
The CAS number of RefChem:319115 is 21217-25-4.
What is the molecular formula of RefChem:319115?
The molecular formula of RefChem:319115 is C31H47Br2N4O2P.
What is the molecular weight of RefChem:319115?
The molecular weight of RefChem:319115 is 696.18 g/mol.
Where can I buy RefChem:319115?
You can request a quote for RefChem:319115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319115?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.