Gadolinium texaphyrin (PCI-0120)
TL;DR: Gadolinium texaphyrin (PCI-0120) (CAS 246252-06-2) is a chemical compound with molecular formula C52H72GdN5O14 and molecular weight 1148.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propan-1-ol;gadolinium(3+);diacetate
Also Known As: Gd texaphyrin, Motexafin gadolinium, Xcytrin, Gadolinium texaphyrin, GD-Tex
| Molecular Formula | C52H72GdN5O14 |
|---|---|
| Molecular Weight | 1148.43 g/mol |
| LogP | 4.1284 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 28 |
| Exact Mass | 1148.4316 |
| Heavy Atoms | 72 |
| Complexity | 1900.0 |
Chemical Identifiers
| CAS Number | 246252-06-2 |
|---|---|
| SMILES | CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].[Gd+3] |
| InChIKey | VAZLWPAHMORDGR-UHFFFAOYSA-L |
Product Overview
Gadolinium texaphyrin (PCI-0120) (CAS 246252-06-2), with molecular formula C52H72GdN5O14 and molecular weight 1148.43 g/mol. IUPAC: 3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propan-1-ol;gadolinium(3+);diacetate.
Chemical Property Profile of Gadolinium texaphyrin (PCI-0120)
Property Insights of Gadolinium texaphyrin (PCI-0120)
The XLogP value of 4.1284 indicates that Gadolinium texaphyrin (PCI-0120) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 245.0 Ų indicates high polarity, suggesting Gadolinium texaphyrin (PCI-0120) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadolinium texaphyrin (PCI-0120) has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gadolinium texaphyrin (PCI-0120)?
The CAS number of Gadolinium texaphyrin (PCI-0120) is 246252-06-2.
What is the molecular formula of Gadolinium texaphyrin (PCI-0120)?
The molecular formula of Gadolinium texaphyrin (PCI-0120) is C52H72GdN5O14.
What is the molecular weight of Gadolinium texaphyrin (PCI-0120)?
The molecular weight of Gadolinium texaphyrin (PCI-0120) is 1148.43 g/mol.
Where can I buy Gadolinium texaphyrin (PCI-0120)?
You can request a quote for Gadolinium texaphyrin (PCI-0120) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadolinium texaphyrin (PCI-0120)?
Yes, KEHONG BIO provides custom synthesis services for Gadolinium texaphyrin (PCI-0120) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.