5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester
TL;DR: 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester (CAS 89586-23-2) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-3-nitro-5,6,7,8-tetrahydronaphthalene-1-carboxylate
Also Known As: methyl 2-hydroxy-3-nitro-5,6,7,8-tetrahydro-1-naphthoate, 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester, Methyl 2-hydroxy-3-nitro-5,6,7,8-tetrahydro-1-naphthalenecarboxylate, Methyl 2-hydroxy-3-nitro-5,6,7,8-tetrahydro-1-naphthalenecarboxylate #, methyl 2-hydroxy-3-nitro-5,6,7,8-tetrahydronaphthalene-1-carboxylate
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 89586-23-2 |
|---|---|
| SMILES | COC(=O)C1=C2CCCCC2=CC(=C1O)[N+](=O)[O-] |
| InChIKey | RDEAYQFBOCIQOC-UHFFFAOYSA-N |
Product Overview
5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester (CAS 89586-23-2), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: methyl 2-hydroxy-3-nitro-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
Chemical Property Profile of 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester
Property Insights of 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester
The XLogP value of 3.2 indicates that 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester 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 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester?
The CAS number of 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester is 89586-23-2.
What is the molecular formula of 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester?
The molecular formula of 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester is C12H13NO5.
What is the molecular weight of 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester?
The molecular weight of 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester is 251.08 g/mol.
Where can I buy 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester?
You can request a quote for 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.