(3-氟苯甲酰氨基)乙酸甲酯
TL;DR: (3-氟苯甲酰氨基)乙酸甲酯 (CAS 131648-59-4) is a chemical compound with molecular formula C10H10FNO3 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-氟苯甲酰氨基)乙酸甲酯
methyl 2-[(3-fluorobenzoyl)amino]acetate
Also Known As: Methyl (3-fluorobenzoyl)glycinate, methyl 2-[(3-fluorobenzoyl)amino]acetate, methyl N-(3-fluorobenzoyl)glycinate, methyl 2-[(3-fluorophenyl)formamido]acetate, (3-FLUORO-BENZOYLAMINO)-ACETIC ACID METHYL ESTER
| Molecular Formula | C10H10FNO3 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.06447 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 131648-59-4 |
|---|---|
| SMILES | COC(=O)CNC(=O)C1=CC(=CC=C1)F |
| InChIKey | UYZMSUMEQUMQNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-氟苯甲酰氨基)乙酸甲酯 (CAS 131648-59-4), with molecular formula C10H10FNO3 and molecular weight 211.06 g/mol. IUPAC: methyl 2-[(3-fluorobenzoyl)amino]acetate.
Chemical Property Profile of (3-氟苯甲酰氨基)乙酸甲酯
Property Insights of (3-氟苯甲酰氨基)乙酸甲酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-氟苯甲酰氨基)乙酸甲酯. With a topological polar surface area (TPSA) of 55.4 Ų, (3-氟苯甲酰氨基)乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-氟苯甲酰氨基)乙酸甲酯 has 1 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 (3-氟苯甲酰氨基)乙酸甲酯?
The CAS number of (3-氟苯甲酰氨基)乙酸甲酯 is 131648-59-4.
What is the molecular formula of (3-氟苯甲酰氨基)乙酸甲酯?
The molecular formula of (3-氟苯甲酰氨基)乙酸甲酯 is C10H10FNO3.
What is the molecular weight of (3-氟苯甲酰氨基)乙酸甲酯?
The molecular weight of (3-氟苯甲酰氨基)乙酸甲酯 is 211.06 g/mol.
Where can I buy (3-氟苯甲酰氨基)乙酸甲酯?
You can request a quote for (3-氟苯甲酰氨基)乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-氟苯甲酰氨基)乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for (3-氟苯甲酰氨基)乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.