Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester
TL;DR: Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester (CAS 89586-50-5) is a chemical compound with molecular formula C12H13NO6 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)benzoate
Also Known As: Methyl 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)benzoate, Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester, 1,8-diacetoxy-2-acetyl-3,6-dimethylnaphthalene, methyl 6-methyl-3-nitro-4-(2'-oxopropyl)salicylate, Methyl 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)benzoate #
| Molecular Formula | C12H13NO6 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.07428 |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 89586-50-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC)O)[N+](=O)[O-])CC(=O)C |
| InChIKey | YCXVKQVEWMTNSG-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester (CAS 89586-50-5), with molecular formula C12H13NO6 and molecular weight 267.07 g/mol. IUPAC: methyl 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)benzoate.
Chemical Property Profile of Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester
Property Insights of Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester has 1 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 Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester?
The CAS number of Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester is 89586-50-5.
What is the molecular formula of Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester?
The molecular formula of Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester is C12H13NO6.
What is the molecular weight of Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester?
The molecular weight of Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester is 267.07 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester?
You can request a quote for Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.