苯氧苯酸
TL;DR: 苯氧苯酸 (CAS 95617-09-7) is a chemical compound with molecular formula C16H12ClNO5 and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯氧苯酸
2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid
Also Known As: Fenoxaprop, Fenoxaprop-P, Fenoxaprop acid, Fenoxaprop [ANSI], Fenoxaprop-P [ISO]
| Molecular Formula | C16H12ClNO5 |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0404 |
| Heavy Atoms | 23 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 95617-09-7 |
|---|---|
| SMILES | CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl |
| InChIKey | MPPOHAUSNPTFAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯氧苯酸 (CAS 95617-09-7), with molecular formula C16H12ClNO5 and molecular weight 333.04 g/mol. IUPAC: 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid.
Chemical Property Profile of 苯氧苯酸
Property Insights of 苯氧苯酸
The XLogP value of 3.4 indicates that 苯氧苯酸 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 苯氧苯酸. Following Lipinski's Rule of Five, 苯氧苯酸 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 苯氧苯酸?
The CAS number of 苯氧苯酸 is 95617-09-7.
What is the molecular formula of 苯氧苯酸?
The molecular formula of 苯氧苯酸 is C16H12ClNO5.
What is the molecular weight of 苯氧苯酸?
The molecular weight of 苯氧苯酸 is 333.04 g/mol.
Where can I buy 苯氧苯酸?
You can request a quote for 苯氧苯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯氧苯酸?
Yes, KEHONG BIO provides custom synthesis services for 苯氧苯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.