5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)-
TL;DR: 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)- (CAS 51234-64-1) is a chemical compound with molecular formula C17H13NO5 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzodioxol-5-yl)-1,3-benzoxazol-5-yl]propanoic acid
Also Known As: alpha-Methyl-2-(3,4-methylenedioxyphenyl)-5-benzoxazoleacetic acid, 5-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-(3,4-METHYLENEDIOXYPHENYL)-, 2-[2-(2H-1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOL-5-YL]PROPANOIC ACID, 2-[2-(1,3-benzodioxol-5-yl)-1,3-benzoxazol-5-yl]propanoic acid, 5-Benzoxazoleacetic acid, 2-(1,3-benzodioxol-5-yl)-.alpha.-methyl-
| Molecular Formula | C17H13NO5 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.07938 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 51234-64-1 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)O |
| InChIKey | GYPZUNUCQUOPSL-UHFFFAOYSA-N |
Product Overview
5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)- (CAS 51234-64-1), with molecular formula C17H13NO5 and molecular weight 311.08 g/mol. IUPAC: 2-[2-(1,3-benzodioxol-5-yl)-1,3-benzoxazol-5-yl]propanoic acid.
Chemical Property Profile of 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)-
Property Insights of 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)-
The XLogP value of 3.3 indicates that 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)-. Following Lipinski's Rule of Five, 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)- has 1 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-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)-?
The CAS number of 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)- is 51234-64-1.
What is the molecular formula of 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)-?
The molecular formula of 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)- is C17H13NO5.
What is the molecular weight of 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)-?
The molecular weight of 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)- is 311.08 g/mol.
Where can I buy 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)-?
You can request a quote for 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)- 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-(3,4-methylenedioxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoxazoleacetic acid, alpha-methyl-2-(3,4-methylenedioxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.