5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-
TL;DR: 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)- (CAS 54785-41-0) is a chemical compound with molecular formula C17H15NO5S and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylsulfonylphenyl)-1,3-benzoxazol-5-yl]propanoic acid
Also Known As: alpha-Methyl-2-(4-(methylsulfonyl)phenyl)-5-benzoxazoleacetic acid, 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-, 2-[2-(4-methylsulfonylphenyl)-1,3-benzoxazol-5-yl]propanoic acid, 2-{2-[4-(Methanesulfonyl)phenyl]-1,3-benzoxazol-5-yl}propanoic acid, BRN 0572221
| Molecular Formula | C17H15NO5S |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 3.0864 |
| Topological Polar Surface Area | 97.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.0671 |
| Heavy Atoms | 24 |
| Complexity | 1018.82043 |
Chemical Identifiers
| CAS Number | 54785-41-0 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O |
Product Overview
5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)- (CAS 54785-41-0), with molecular formula C17H15NO5S and molecular weight 345.07 g/mol. IUPAC: 2-[2-(4-methylsulfonylphenyl)-1,3-benzoxazol-5-yl]propanoic acid.
Chemical Property Profile of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-
Property Insights of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-
The XLogP value of 3.0864 indicates that 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-. Following Lipinski's Rule of Five, 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)- 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 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-?
The CAS number of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)- is 54785-41-0.
What is the molecular formula of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-?
The molecular formula of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)- is C17H15NO5S.
What is the molecular weight of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-?
The molecular weight of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)- is 345.07 g/mol.
Where can I buy 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-?
You can request a quote for 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-(methylsulfonyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.