Benzenemethanol, 4-methyl-3-nitro-, acetate (ester)
TL;DR: Benzenemethanol, 4-methyl-3-nitro-, acetate (ester) (CAS 40870-71-1) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3-nitrophenyl)methyl acetate
Also Known As: (4-methyl-3-nitrophenyl)methyl acetate, 4-Methyl-3-nitrobenzenemethanol acetate (ester), Benzenemethanol, 4-methyl-3-nitro-, acetate (ester), Acetic acid, (4-methyl-3-nitrophenyl)methyl ester, RefChem:324972
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 40870-71-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)COC(=O)C)[N+](=O)[O-] |
| InChIKey | PLOATNCPWVNMSO-UHFFFAOYSA-N |
Product Overview
Benzenemethanol, 4-methyl-3-nitro-, acetate (ester) (CAS 40870-71-1), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: (4-methyl-3-nitrophenyl)methyl acetate.
Chemical Property Profile of Benzenemethanol, 4-methyl-3-nitro-, acetate (ester)
Property Insights of Benzenemethanol, 4-methyl-3-nitro-, acetate (ester)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 4-methyl-3-nitro-, acetate (ester). The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol, 4-methyl-3-nitro-, acetate (ester). Following Lipinski's Rule of Five, Benzenemethanol, 4-methyl-3-nitro-, acetate (ester) has 0 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 Benzenemethanol, 4-methyl-3-nitro-, acetate (ester)?
The CAS number of Benzenemethanol, 4-methyl-3-nitro-, acetate (ester) is 40870-71-1.
What is the molecular formula of Benzenemethanol, 4-methyl-3-nitro-, acetate (ester)?
The molecular formula of Benzenemethanol, 4-methyl-3-nitro-, acetate (ester) is C10H11NO4.
What is the molecular weight of Benzenemethanol, 4-methyl-3-nitro-, acetate (ester)?
The molecular weight of Benzenemethanol, 4-methyl-3-nitro-, acetate (ester) is 209.07 g/mol.
Where can I buy Benzenemethanol, 4-methyl-3-nitro-, acetate (ester)?
You can request a quote for Benzenemethanol, 4-methyl-3-nitro-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, 4-methyl-3-nitro-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, 4-methyl-3-nitro-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.