Methyl 4-(1-hydroxy-2-nitroethyl)benzoate
TL;DR: Methyl 4-(1-hydroxy-2-nitroethyl)benzoate (CAS 90923-10-7) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1-hydroxy-2-nitroethyl)benzoate
Also Known As: methyl 4-(1-hydroxy-2-nitroethyl)benzoate, methyl 4-(1-hydroxy-2-nitroethyl)benzenecarboxylate, methyl4-(1-hydroxy-2-nitroethyl)benzoate, J3.801.423D, Benzoic acid, 4-(1-hydroxy-2-nitroethyl)-, methyl ester
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 0.7833 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 386.7008 |
Chemical Identifiers
| CAS Number | 90923-10-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(C[N+](=O)[O-])O |
Product Overview
Methyl 4-(1-hydroxy-2-nitroethyl)benzoate (CAS 90923-10-7), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: methyl 4-(1-hydroxy-2-nitroethyl)benzoate.
Chemical Property Profile of Methyl 4-(1-hydroxy-2-nitroethyl)benzoate
Property Insights of Methyl 4-(1-hydroxy-2-nitroethyl)benzoate
The XLogP value of 0.7833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1-hydroxy-2-nitroethyl)benzoate. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(1-hydroxy-2-nitroethyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(1-hydroxy-2-nitroethyl)benzoate has 1 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 Methyl 4-(1-hydroxy-2-nitroethyl)benzoate?
The CAS number of Methyl 4-(1-hydroxy-2-nitroethyl)benzoate is 90923-10-7.
What is the molecular formula of Methyl 4-(1-hydroxy-2-nitroethyl)benzoate?
The molecular formula of Methyl 4-(1-hydroxy-2-nitroethyl)benzoate is C10H11NO5.
What is the molecular weight of Methyl 4-(1-hydroxy-2-nitroethyl)benzoate?
The molecular weight of Methyl 4-(1-hydroxy-2-nitroethyl)benzoate is 225.06 g/mol.
Where can I buy Methyl 4-(1-hydroxy-2-nitroethyl)benzoate?
You can request a quote for Methyl 4-(1-hydroxy-2-nitroethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1-hydroxy-2-nitroethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1-hydroxy-2-nitroethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.