1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine
TL;DR: 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine (CAS 92697-39-7) is a chemical compound with molecular formula C31H52N5O10P and molecular weight 685.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-(2-azido-4-nitrobenzoyl)oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Pab-phosphocholine, KST-1A8943, 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine, (2r)-2-[(2-azido-4-nitrobenzoyl)oxy]-3-(hexadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate, 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-((2-azido-4-nitrobenzoyl)oxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, hydroxide, inner salt, 4-oxide, (R)-
| Molecular Formula | C31H52N5O10P |
|---|---|
| Molecular Weight | 685.35 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 28 |
| Exact Mass | 685.34515 |
| Heavy Atoms | 47 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 92697-39-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-] |
| InChIKey | OQTNXMXEHRTWJX-HHHXNRCGSA-N |
Product Overview
1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine (CAS 92697-39-7), with molecular formula C31H52N5O10P and molecular weight 685.35 g/mol. IUPAC: [(2R)-2-(2-azido-4-nitrobenzoyl)oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine
Property Insights of 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine
The XLogP value of 8.6 indicates that 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine?
The CAS number of 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine is 92697-39-7.
What is the molecular formula of 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine?
The molecular formula of 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine is C31H52N5O10P.
What is the molecular weight of 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine?
The molecular weight of 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine is 685.35 g/mol.
Where can I buy 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine?
You can request a quote for 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for 1-Palmitoyl-2-(2-azido-4-nitro)benzoyl-glycero-3-phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.