C12-Nbd-PC
TL;DR: C12-Nbd-PC (CAS 131479-28-2) is a chemical compound with molecular formula C44H76N5O11P and molecular weight 881.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: C12-Nbd-PC, 1-Oleoyl-2-(12-((7-nitro-2,1,3-benzoxadiazol-4-yl)amino)dodecanoyl)phosphatidylcholine, [2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, 3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-((12-((7-nitro-4-benzofurazanyl)amino)-1-oxododecyl)oxy)-10-oxo-, hydroxide, inner salt, 4-oxide, (Z)-, RefChem:76795
| Molecular Formula | C44H76N5O11P |
|---|---|
| Molecular Weight | 881.53 g/mol |
| LogP | 10.1442 |
| Topological Polar Surface Area | 205.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 39 |
| Exact Mass | 881.5279 |
| Heavy Atoms | 61 |
| Complexity | 1582.4259 |
Chemical Identifiers
| CAS Number | 131479-28-2 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-] |
Product Overview
C12-Nbd-PC (CAS 131479-28-2), with molecular formula C44H76N5O11P and molecular weight 881.53 g/mol. IUPAC: [2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of C12-Nbd-PC
Property Insights of C12-Nbd-PC
The XLogP value of 10.1442 indicates that C12-Nbd-PC is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.28 Ų indicates high polarity, suggesting C12-Nbd-PC may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C12-Nbd-PC has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C12-Nbd-PC?
The CAS number of C12-Nbd-PC is 131479-28-2.
What is the molecular formula of C12-Nbd-PC?
The molecular formula of C12-Nbd-PC is C44H76N5O11P.
What is the molecular weight of C12-Nbd-PC?
The molecular weight of C12-Nbd-PC is 881.53 g/mol.
Where can I buy C12-Nbd-PC?
You can request a quote for C12-Nbd-PC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12-Nbd-PC?
Yes, KEHONG BIO provides custom synthesis services for C12-Nbd-PC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.