Gadofosveset trisodium monohydrate
TL;DR: Gadofosveset trisodium monohydrate (CAS 211570-55-7) is a chemical compound with molecular formula C33H40GdN3Na3O15P and molecular weight 976.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[[(2R)-2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidophosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydrate
Also Known As: Gadofosveset, Vasovist, Ablavar, Gadofosveset trisodium, Gadofosveset trisodium [USAN]
| Molecular Formula | C33H40GdN3Na3O15P |
|---|---|
| Molecular Weight | 976.11 g/mol |
| LogP | -15.3717 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Exact Mass | 976.1131 |
| Heavy Atoms | 56 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 211570-55-7 |
|---|---|
| SMILES | C1CC(CCC1OP(=O)([O-])OC[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.O.[Na+].[Na+].[Na+].[Gd+3] |
| InChIKey | PIZALBORPSCYJU-QSQMUHTISA-H |
Product Overview
Gadofosveset trisodium monohydrate (CAS 211570-55-7), with molecular formula C33H40GdN3Na3O15P and molecular weight 976.11 g/mol. IUPAC: trisodium;2-[[(2R)-2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidophosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydrate.
Chemical Property Profile of Gadofosveset trisodium monohydrate
Property Insights of Gadofosveset trisodium monohydrate
The XLogP value of -15.3717 indicates that Gadofosveset trisodium monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 270.0 Ų indicates high polarity, suggesting Gadofosveset trisodium monohydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadofosveset trisodium monohydrate has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gadofosveset trisodium monohydrate?
The CAS number of Gadofosveset trisodium monohydrate is 211570-55-7.
What is the molecular formula of Gadofosveset trisodium monohydrate?
The molecular formula of Gadofosveset trisodium monohydrate is C33H40GdN3Na3O15P.
What is the molecular weight of Gadofosveset trisodium monohydrate?
The molecular weight of Gadofosveset trisodium monohydrate is 976.11 g/mol.
Where can I buy Gadofosveset trisodium monohydrate?
You can request a quote for Gadofosveset trisodium monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadofosveset trisodium monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Gadofosveset trisodium monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.