C18H31GaN4O9
TL;DR: C18H31GaN4O9 (CAS 138071-82-6) is a chemical compound with molecular formula C18H31GaN4O9 and molecular weight 516.1347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
gallium 2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Also Known As: Gadobutrol, Gadavist (TN), Gadolinium,[10-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-kN1,kN4,kN7,kN10,kO1,kO4,kO7]-, gallium 2,2',2''-{10-[(2r,3s)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetate, gallium 2-[4,10-bis(2-oxido-2-oxoethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H31GaN4O9 |
| Molecular Weight | 516.1347 g/mol |
| XLogP | -8.21 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.1347 Da |
| Heavy Atoms | 32 |
| Complexity | 532.0 |
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Ga+3] |
| InChIKey | LNUSHJPTOIHLSF-CTHHTMFSSA-K |
Chemical Property Profile of C18H31GaN4O9
Property Insights of C18H31GaN4O9
The XLogP value of -8.21 indicates that C18H31GaN4O9 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting C18H31GaN4O9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H31GaN4O9 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C18H31GaN4O9?
The CAS number of C18H31GaN4O9 is 138071-82-6.
What is the molecular formula of C18H31GaN4O9?
The molecular formula of C18H31GaN4O9 is C18H31GaN4O9.
What is the molecular weight of C18H31GaN4O9?
The molecular weight of C18H31GaN4O9 is 516.1347 g/mol.
Where can I buy C18H31GaN4O9?
You can request a quote for C18H31GaN4O9 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H31GaN4O9?
Yes, CoreyChem provides custom synthesis services for C18H31GaN4O9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.