Methyl 10-nitro-9-anthracenecarboxylate
TL;DR: Methyl 10-nitro-9-anthracenecarboxylate (CAS 79693-14-4) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10-nitroanthracene-9-carboxylate
Also Known As: methyl 10-nitroanthracene-9-carboxylate, METHYL 10-NITRO-9-ANTHRACENECARBOXYLATE, methyl10-nitroanthracene-9-carboxylate, J2.635.420J, 10-Nitroanthracene-9-carboxylic acid methyl ester
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 3.6878 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 828.9639 |
Chemical Identifiers
| CAS Number | 79693-14-4 |
|---|---|
| SMILES | COC(=O)C1=C2C=CC=CC2=C(C3=CC=CC=C31)[N+](=O)[O-] |
Product Overview
Methyl 10-nitro-9-anthracenecarboxylate (CAS 79693-14-4), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: methyl 10-nitroanthracene-9-carboxylate.
Chemical Property Profile of Methyl 10-nitro-9-anthracenecarboxylate
Property Insights of Methyl 10-nitro-9-anthracenecarboxylate
The XLogP value of 3.6878 indicates that Methyl 10-nitro-9-anthracenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 10-nitro-9-anthracenecarboxylate. Following Lipinski's Rule of Five, Methyl 10-nitro-9-anthracenecarboxylate 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 Methyl 10-nitro-9-anthracenecarboxylate?
The CAS number of Methyl 10-nitro-9-anthracenecarboxylate is 79693-14-4.
What is the molecular formula of Methyl 10-nitro-9-anthracenecarboxylate?
The molecular formula of Methyl 10-nitro-9-anthracenecarboxylate is C16H11NO4.
What is the molecular weight of Methyl 10-nitro-9-anthracenecarboxylate?
The molecular weight of Methyl 10-nitro-9-anthracenecarboxylate is 281.07 g/mol.
Where can I buy Methyl 10-nitro-9-anthracenecarboxylate?
You can request a quote for Methyl 10-nitro-9-anthracenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 10-nitro-9-anthracenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 10-nitro-9-anthracenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.