Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-
TL;DR: Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)- (CAS 136687-74-6) is a chemical compound with molecular formula C16H12ClNO3 and molecular weight 301.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)benzoic acid
Also Known As: 2-(3-Chloro-2-oxo-4-phenyl-1-azetidinyl)benzoic acid, 2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)benzoic acid, Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-, 2-(2-Phenyl-3-chloro-4-oxo-1-azetidinyl)benzoic acid
Technical Specifications
| Molecular Formula | C16H12ClNO3 |
| Molecular Weight | 301.05057 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05057 Da |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
| SMILES | C1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3C(=O)O)Cl |
| InChIKey | CBNAJBCPYRKNIN-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-
Property Insights of Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-. With a topological polar surface area (TPSA) of 57.6 Ų, Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-?
The CAS number of Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)- is 136687-74-6.
What is the molecular formula of Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-?
The molecular formula of Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)- is C16H12ClNO3.
What is the molecular weight of Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-?
The molecular weight of Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)- is 301.05057 g/mol.
Where can I buy Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-?
You can request a quote for Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.