2-乙酰氧基-5-氟苯甲酸
TL;DR: 2-乙酰氧基-5-氟苯甲酸 (CAS 448-40-8) is a chemical compound with molecular formula C9H7FO4 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰氧基-5-氟苯甲酸
2-acetyloxy-5-fluorobenzoic acid
Also Known As: 2-acetyloxy-5-fluorobenzoic acid, ghl.PD_Mitscher_leg0.1201, 2-acetoxy-5-fluorobenzoic acid, 5-Fluoro-2-acetoxybenzoic acid, 2-Acetoxy-5-fluoro benzoic acid
| Molecular Formula | C9H7FO4 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 1.4492 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.03284 |
| Heavy Atoms | 14 |
| Complexity | 386.39838 |
Chemical Identifiers
| CAS Number | 448-40-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)F)C(=O)O |
Product Overview
2-乙酰氧基-5-氟苯甲酸 (CAS 448-40-8), with molecular formula C9H7FO4 and molecular weight 198.03 g/mol. IUPAC: 2-acetyloxy-5-fluorobenzoic acid.
Chemical Property Profile of 2-乙酰氧基-5-氟苯甲酸
Property Insights of 2-乙酰氧基-5-氟苯甲酸
The XLogP value of 1.4492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰氧基-5-氟苯甲酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-乙酰氧基-5-氟苯甲酸. Following Lipinski's Rule of Five, 2-乙酰氧基-5-氟苯甲酸 has 1 hydrogen bond donor(s) and 3 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-乙酰氧基-5-氟苯甲酸?
The CAS number of 2-乙酰氧基-5-氟苯甲酸 is 448-40-8.
What is the molecular formula of 2-乙酰氧基-5-氟苯甲酸?
The molecular formula of 2-乙酰氧基-5-氟苯甲酸 is C9H7FO4.
What is the molecular weight of 2-乙酰氧基-5-氟苯甲酸?
The molecular weight of 2-乙酰氧基-5-氟苯甲酸 is 198.03 g/mol.
Where can I buy 2-乙酰氧基-5-氟苯甲酸?
You can request a quote for 2-乙酰氧基-5-氟苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰氧基-5-氟苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰氧基-5-氟苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.