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 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, RefChem:1078956
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.0801 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 701.6781 |
Chemical Identifiers
| CAS Number | 136687-74-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3C(=O)O)Cl |
Product Overview
Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)- (CAS 136687-74-6), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: 2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)benzoic acid.
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 3.0801 indicates that Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 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 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 301.05 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-?
Yes, KEHONG BIO 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.