钆特酸
TL;DR: 钆特酸 (CAS 83678-67-5) is a chemical compound with molecular formula C16H25GdN4O8 and molecular weight 559.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
钆特酸
2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
Also Known As: Gadoteric acid, Gadoterate, Artirem, Gd-Dota, Fissistigine C
| Molecular Formula | C16H25GdN4O8 |
|---|---|
| Molecular Weight | 559.09 g/mol |
| LogP | -6.4577 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 559.0914 |
| Heavy Atoms | 29 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 83678-67-5 |
|---|---|
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | GFSTXYOTEVLASN-UHFFFAOYSA-K |
Product Overview
钆特酸 (CAS 83678-67-5), with molecular formula C16H25GdN4O8 and molecular weight 559.09 g/mol. IUPAC: 2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+).
Chemical Property Profile of 钆特酸
Property Insights of 钆特酸
The XLogP value of -6.4577 indicates that 钆特酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting 钆特酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 钆特酸 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 钆特酸?
The CAS number of 钆特酸 is 83678-67-5.
What is the molecular formula of 钆特酸?
The molecular formula of 钆特酸 is C16H25GdN4O8.
What is the molecular weight of 钆特酸?
The molecular weight of 钆特酸 is 559.09 g/mol.
Where can I buy 钆特酸?
You can request a quote for 钆特酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 钆特酸?
Yes, KEHONG BIO provides custom synthesis services for 钆特酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.