1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine
TL;DR: 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine (CAS 103583-11-5) is a chemical compound with molecular formula C38H58NO9P and molecular weight 721.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-(4-benzoylbenzoyl)oxy-3-hexadecanoyloxypropyl] 2-[tris(tritritiomethyl)azaniumyl]ethyl phosphate
Also Known As: 1-Pbbpc, 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine, [(2R)-2-(4-benzoylbenzoyl)oxy-3-hexadecanoyloxypropyl] 2-[tris(tritritiomethyl)azaniumyl]ethyl phosphate, (2R)-2-[(4-Benzoylbenzoyl)oxy]-3-(hexadecanoyloxy)propyl 2-{tris[(~3~H_3_)methyl]azaniumyl}ethyl phosphate, RefChem:76841
| Molecular Formula | C38H58NO9P |
|---|---|
| Molecular Weight | 721.46 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 29 |
| Exact Mass | 721.4589 |
| Heavy Atoms | 49 |
| Complexity | 962.0 |
Chemical Identifiers
| CAS Number | 103583-11-5 |
|---|---|
| SMILES | [3H]C([3H])([3H])[N+](CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(C([3H])([3H])[3H])C([3H])([3H])[3H] |
| InChIKey | BQFHKXKKCMCMST-JACXTXNKSA-N |
Product Overview
1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine (CAS 103583-11-5), with molecular formula C38H58NO9P and molecular weight 721.46 g/mol. IUPAC: [(2R)-2-(4-benzoylbenzoyl)oxy-3-hexadecanoyloxypropyl] 2-[tris(tritritiomethyl)azaniumyl]ethyl phosphate.
Chemical Property Profile of 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine
Property Insights of 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine
The XLogP value of 9.1 indicates that 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine. Following Lipinski's Rule of Five, 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine has 0 hydrogen bond donor(s) and 9 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-(4-benzoyl)benzoyl-3-phosphatidylcholine?
The CAS number of 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine is 103583-11-5.
What is the molecular formula of 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine?
The molecular formula of 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine is C38H58NO9P.
What is the molecular weight of 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine?
The molecular weight of 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine is 721.46 g/mol.
Where can I buy 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine?
You can request a quote for 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine 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-(4-benzoyl)benzoyl-3-phosphatidylcholine?
Yes, KEHONG BIO provides custom synthesis services for 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.