(S)-Benoxaprofen glucuronide
TL;DR: (S)-Benoxaprofen glucuronide (CAS 127192-89-6) is a chemical compound with molecular formula C22H20ClNO9 and molecular weight 477.08267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6S)-6-[(2S)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Benoxaprofen glucuronide, (S)-Benoxaprofen glucuronide, 1-o-{(2s)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoyl}-, A-d-glucopyranuronic acid, 1-O-{2-[2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl]propanoyl}hexopyranuronic acid
Technical Specifications
| Molecular Formula | C22H20ClNO9 |
| Molecular Weight | 477.08267 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.08267 Da |
| Heavy Atoms | 33 |
| Complexity | 718.0 |
| SMILES | C[C@@H](C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O |
| InChIKey | FMHXTOVNUBYPFK-JEHSWSDASA-N |
Chemical Property Profile of (S)-Benoxaprofen glucuronide
Property Insights of (S)-Benoxaprofen glucuronide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Benoxaprofen glucuronide. The TPSA of 160.0 Ų indicates high polarity, suggesting (S)-Benoxaprofen glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-Benoxaprofen glucuronide has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-Benoxaprofen glucuronide?
The CAS number of (S)-Benoxaprofen glucuronide is 127192-89-6.
What is the molecular formula of (S)-Benoxaprofen glucuronide?
The molecular formula of (S)-Benoxaprofen glucuronide is C22H20ClNO9.
What is the molecular weight of (S)-Benoxaprofen glucuronide?
The molecular weight of (S)-Benoxaprofen glucuronide is 477.08267 g/mol.
Where can I buy (S)-Benoxaprofen glucuronide?
You can request a quote for (S)-Benoxaprofen glucuronide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-Benoxaprofen glucuronide?
Yes, CoreyChem provides custom synthesis services for (S)-Benoxaprofen glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.