![(2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid structure](/static/products/157/157187-00-3.webp)
(2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
TL;DR: (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid (CAS 157187-00-3) is a chemical compound with molecular formula C30H37N4O11PS and molecular weight 692.1917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid, (2S,4S)-4-[4-(Phosphonomethyl)phenoxy]-1-[(R)-2-[4-[(2-sulfobenzoyl)amino]-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid, T27941
Technical Specifications
| Molecular Formula | C30H37N4O11PS |
| Molecular Weight | 692.1917 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 234.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 692.1917 Da |
| Heavy Atoms | 47 |
| Complexity | 1240.0 |
| SMILES | CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC=C(C=C2)CP(=O)(O)O)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O |
| InChIKey | HTKQWWHAAOBXEQ-CAOCKLPOSA-N |
Chemical Property Profile of (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Property Insights of (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid. The TPSA of 234.0 Ų indicates high polarity, suggesting (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid is 157187-00-3.
What is the molecular formula of (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid is C30H37N4O11PS.
What is the molecular weight of (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid is 692.1917 g/mol.
Where can I buy (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (2S,4S)-4-[4-(phosphonomethyl)phenoxy]-1-[(2R)-2-[4-(2-sulfobenzamido)-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.