methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate
TL;DR: methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate (CAS 139525-74-9) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-nitro-3,4-dihydro-2H-quinoline-1-carboxylate
Also Known As: methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate, methyl 6-nitro-3,4-dihydro-2H-quinoline-1-carboxylate, 1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-6-nitro-, methyl ester, methyl 6-nitro-1,2,3,4-tetrahydroquinoline-1-carboxylate, methyl 6-nitro-1,2,3,4-tetrahydroquinolinecarboxylate
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 2.1138 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 472.53928 |
Chemical Identifiers
| CAS Number | 139525-74-9 |
|---|---|
| SMILES | COC(=O)N1CCCC2=C1C=CC(=C2)[N+](=O)[O-] |
Product Overview
methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate (CAS 139525-74-9), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: methyl 6-nitro-3,4-dihydro-2H-quinoline-1-carboxylate.
Chemical Property Profile of methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate
Property Insights of methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate
The XLogP value of 2.1138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate. Following Lipinski's Rule of Five, methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate 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 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate?
The CAS number of methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate is 139525-74-9.
What is the molecular formula of methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate?
The molecular formula of methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate is C11H12N2O4.
What is the molecular weight of methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate?
The molecular weight of methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate is 236.08 g/mol.
Where can I buy methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate?
You can request a quote for methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-nitro-3,4-dihydroquinoline-1(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.