Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate
TL;DR: Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate (CAS 80041-99-2) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]benzoate
Also Known As: Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate, J1.296.320C, methyl 2-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]benzoate, Methyl(S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate, (S)-methyl 2-(4-hydroxyisoxazolidine-2-carbonyl)benzoate
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.2215 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 473.2905 |
Chemical Identifiers
| CAS Number | 80041-99-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C(=O)N2C[C@@H](CO2)O |
Product Overview
Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate (CAS 80041-99-2), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: methyl 2-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]benzoate.
Chemical Property Profile of Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate
Property Insights of Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate
The XLogP value of 0.2215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate. Following Lipinski's Rule of Five, Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate has 1 hydrogen bond donor(s) and 5 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 Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate?
The CAS number of Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate is 80041-99-2.
What is the molecular formula of Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate?
The molecular formula of Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate is C12H13NO5.
What is the molecular weight of Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate?
The molecular weight of Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate is 251.08 g/mol.
Where can I buy Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate?
You can request a quote for Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.