2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester)
TL;DR: 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester) (CAS 119256-85-8) is a chemical compound with molecular formula C17H13ClFNO3 and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] propanoate
Also Known As: KST-1B0037, 1,3-benzoxazol-2-yl(2-chloro-6-fluorophenyl)methyl propanoate, 2-Benzoxazolemethanol, a-(2-chloro-6-fluorophenyl)-,2-propanoate, 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester), [1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] propanoate
| Molecular Formula | C17H13ClFNO3 |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0568 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 119256-85-8 |
|---|---|
| SMILES | CCC(=O)OC(C1=C(C=CC=C1Cl)F)C2=NC3=CC=CC=C3O2 |
| InChIKey | FFYHTJUNAXVVRW-UHFFFAOYSA-N |
Product Overview
2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester) (CAS 119256-85-8), with molecular formula C17H13ClFNO3 and molecular weight 333.06 g/mol. IUPAC: [1,3-benzoxazol-2-yl-(2-chloro-6-fluorophenyl)methyl] propanoate.
Chemical Property Profile of 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester)
Property Insights of 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester)
The XLogP value of 4.4 indicates that 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester) has 0 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 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester)?
The CAS number of 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester) is 119256-85-8.
What is the molecular formula of 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester)?
The molecular formula of 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester) is C17H13ClFNO3.
What is the molecular weight of 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester)?
The molecular weight of 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester) is 333.06 g/mol.
Where can I buy 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester)?
You can request a quote for 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolemethanol, alpha-(2-chloro-6-fluorophenyl)-, propanoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.