钆布醇
TL;DR: 钆布醇 (CAS 770691-21-9) is a chemical compound with molecular formula C18H31GdN4O9 and molecular weight 605.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
钆布醇
2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
Also Known As: Gadobutrol, Gadovist, Protovist, Gadograf, Gadavist
| Molecular Formula | C18H31GdN4O9 |
|---|---|
| Molecular Weight | 605.13 g/mol |
| LogP | -7.8282 |
| Topological Polar Surface Area | 194.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 605.13324 |
| Heavy Atoms | 32 |
| Complexity | 554.65356 |
Chemical Identifiers
| CAS Number | 770691-21-9 |
|---|---|
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Gd+3] |
Product Overview
钆布醇 (CAS 770691-21-9), with molecular formula C18H31GdN4O9 and molecular weight 605.13 g/mol. IUPAC: 2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+).
Chemical Property Profile of 钆布醇
Property Insights of 钆布醇
The XLogP value of -7.8282 indicates that 钆布醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.04 Ų indicates high polarity, suggesting 钆布醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 钆布醇 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 钆布醇?
The CAS number of 钆布醇 is 770691-21-9.
What is the molecular formula of 钆布醇?
The molecular formula of 钆布醇 is C18H31GdN4O9.
What is the molecular weight of 钆布醇?
The molecular weight of 钆布醇 is 605.13 g/mol.
Where can I buy 钆布醇?
You can request a quote for 钆布醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 钆布醇?
Yes, KEHONG BIO provides custom synthesis services for 钆布醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.