(5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate
TL;DR: (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate (CAS 879772-23-3) is a chemical compound with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-phenyl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
Also Known As: F2496-0101, (5-phenyl-1,2-oxazol-3-yl)methyl 4-(pyrrolidine-1-sulfonyl)benzoate, (5-phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate, (5-phenyl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate, oxo-p-[(5-phenyl-3-isoxazolyl)methoxycarbonyl]phenyl-1-pyrrolidinyl-lambda-sulfaniumolate
| Molecular Formula | C21H20N2O5S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 3.4831 |
| Topological Polar Surface Area | 89.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.10928 |
| Heavy Atoms | 29 |
| Complexity | 1085.6149 |
Chemical Identifiers
| CAS Number | 879772-23-3 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4 |
Product Overview
(5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate (CAS 879772-23-3), with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol. IUPAC: (5-phenyl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate.
Chemical Property Profile of (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate
Property Insights of (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate
The XLogP value of 3.4831 indicates that (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate. Following Lipinski's Rule of Five, (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate has 0 hydrogen bond donor(s) and 6 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 (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate?
The CAS number of (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate is 879772-23-3.
What is the molecular formula of (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate?
The molecular formula of (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate is C21H20N2O5S.
What is the molecular weight of (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate?
The molecular weight of (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate is 412.11 g/mol.
Where can I buy (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate?
You can request a quote for (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Phenylisoxazol-3-yl)methyl 4-(pyrrolidin-1-ylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.