1,2-Diheptanoyl-sn-glycero-3-phosphocholine
TL;DR: 1,2-Diheptanoyl-sn-glycero-3-phosphocholine (CAS 39036-04-9) is a chemical compound with molecular formula C22H44NO8P and molecular weight 481.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2,3-di(heptanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Diheptanoyllecithin, 1,2-diheptanoyl-sn-glycero-3-phosphocholine, L-alpha-Diheptanoyllecithin, D-Diheptanoyllecithin, L--Diheptanoyllecithin
| Molecular Formula | C22H44NO8P |
|---|---|
| Molecular Weight | 481.28 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Exact Mass | 481.28046 |
| Heavy Atoms | 32 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 39036-04-9 |
|---|---|
| SMILES | CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC |
| InChIKey | RBFSPQDASPEAID-HXUWFJFHSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Diheptanoyl-sn-glycero-3-phosphocholine (CAS 39036-04-9), with molecular formula C22H44NO8P and molecular weight 481.28 g/mol. IUPAC: [(2R)-2,3-di(heptanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine
Property Insights of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine
The XLogP value of 3.7 indicates that 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Diheptanoyl-sn-glycero-3-phosphocholine. Following Lipinski's Rule of Five, 1,2-Diheptanoyl-sn-glycero-3-phosphocholine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?
The CAS number of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is 39036-04-9.
What is the molecular formula of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?
The molecular formula of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is C22H44NO8P.
What is the molecular weight of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?
The molecular weight of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is 481.28 g/mol.
Where can I buy 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?
You can request a quote for 1,2-Diheptanoyl-sn-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 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diheptanoyl-sn-glycero-3-phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.