Benzoxazole, 2-(3,4-methylenedioxyphenyl)-
TL;DR: Benzoxazole, 2-(3,4-methylenedioxyphenyl)- (CAS 3315-20-6) is a chemical compound with molecular formula C14H9NO3 and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-1,3-benzoxazole
Also Known As: 2- benzoxazole, 2-(3,4-Methylenedioxyphenyl)benzoxazole, BENZOXAZOLE, 2-(3,4-METHYLENEDIOXYPHENYL)-, Benzoxazole,3-benzodioxol-5-yl)-, Benzoxazole, 2-(1,3-benzodioxol-5-yl)-
| Molecular Formula | C14H9NO3 |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.05824 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 3315-20-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4O3 |
| InChIKey | QFNIMVUSMZPOPX-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 2-(3,4-methylenedioxyphenyl)- (CAS 3315-20-6), with molecular formula C14H9NO3 and molecular weight 239.06 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-(3,4-methylenedioxyphenyl)-
Property Insights of Benzoxazole, 2-(3,4-methylenedioxyphenyl)-
The XLogP value of 3.2 indicates that Benzoxazole, 2-(3,4-methylenedioxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Benzoxazole, 2-(3,4-methylenedioxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-(3,4-methylenedioxyphenyl)- has 0 hydrogen bond donor(s) and 4 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 Benzoxazole, 2-(3,4-methylenedioxyphenyl)-?
The CAS number of Benzoxazole, 2-(3,4-methylenedioxyphenyl)- is 3315-20-6.
What is the molecular formula of Benzoxazole, 2-(3,4-methylenedioxyphenyl)-?
The molecular formula of Benzoxazole, 2-(3,4-methylenedioxyphenyl)- is C14H9NO3.
What is the molecular weight of Benzoxazole, 2-(3,4-methylenedioxyphenyl)-?
The molecular weight of Benzoxazole, 2-(3,4-methylenedioxyphenyl)- is 239.06 g/mol.
Where can I buy Benzoxazole, 2-(3,4-methylenedioxyphenyl)-?
You can request a quote for Benzoxazole, 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 Benzoxazole, 2-(3,4-methylenedioxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-(3,4-methylenedioxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.