Butrol
TL;DR: Butrol (CAS 151852-61-8) is a chemical compound with molecular formula C18H34N4O9 and molecular weight 450.23257 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4,10-bis(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Also Known As: Butrol, Calcobutrol Impurity 4, 2-[4,10-bis(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid, 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-((1R,2S)-2,3-dihydroxy-1-(hydroxymethyl)propyl)-, rel-, rel-10-[(1R,2S)-2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic Acid
Technical Specifications
| Molecular Formula | C18H34N4O9 |
| Molecular Weight | 450.23257 g/mol |
| XLogP | -9.8 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 450.23257 Da |
| Heavy Atoms | 31 |
| Complexity | 548.0 |
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)[C@H](CO)[C@@H](CO)O)CC(=O)O |
| InChIKey | JZNZSKXIEDHOBD-HUUCEWRRSA-N |
Chemical Property Profile of Butrol
Property Insights of Butrol
The XLogP value of -9.8 indicates that Butrol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.0 Ų indicates high polarity, suggesting Butrol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butrol has 6 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 Butrol?
The CAS number of Butrol is 151852-61-8.
What is the molecular formula of Butrol?
The molecular formula of Butrol is C18H34N4O9.
What is the molecular weight of Butrol?
The molecular weight of Butrol is 450.23257 g/mol.
Where can I buy Butrol?
You can request a quote for Butrol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butrol?
Yes, CoreyChem provides custom synthesis services for Butrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.