![(3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate structure](/static/products/101/1012737-22-2.png)
(3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate
TL;DR: (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate (CAS 1012737-22-2) is a chemical compound with molecular formula C16H15FN2O5 and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluorophenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate
Also Known As: (3-fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate, 3-Fluorobenzyl 2-((2-hydroxyethyl)amino)-5-nitrobenzoate, (3-fluorophenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate, (3-fluorophenyl)methyl 2-[(2-hydroxyethyl)amino]-5-nitrobenzoate
| Molecular Formula | C16H15FN2O5 |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 2.4951 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.0965 |
| Heavy Atoms | 24 |
| Complexity | 750.9977 |
Chemical Identifiers
| CAS Number | 1012737-22-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO |
Product Overview
(3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate (CAS 1012737-22-2), with molecular formula C16H15FN2O5 and molecular weight 334.10 g/mol. IUPAC: (3-fluorophenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate.
Chemical Property Profile of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate
Property Insights of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate
The XLogP value of 2.4951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate. Following Lipinski's Rule of Five, (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate has 2 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 (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate?
The CAS number of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate is 1012737-22-2.
What is the molecular formula of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate?
The molecular formula of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate is C16H15FN2O5.
What is the molecular weight of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate?
The molecular weight of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate is 334.10 g/mol.
Where can I buy (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate?
You can request a quote for (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.