Nnc 687
TL;DR: Nnc 687 (CAS 128022-68-4) is a chemical compound with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-8-nitro-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Also Known As: Nnc 687, (+)-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol, 5-(2,3-DIHYDRO-1-BENZOFURAN-7-YL)-3-METHYL-8-NITRO-1,2,4,5-TETRAHYDRO-3-BENZAZEPIN-7-OL, 5-(2,3-Dihydro-1-benzofuran-7-yl)-3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol, 8-Nitro-5-[(2,3-dihydrobenzofuran)-7-yl]-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
| Molecular Formula | C19H20N2O4 |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 2.8551 |
| Topological Polar Surface Area | 75.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.1423 |
| Heavy Atoms | 25 |
| Complexity | 849.558 |
Chemical Identifiers
| CAS Number | 128022-68-4 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC4=C3OCC4)O)[N+](=O)[O-] |
Product Overview
Nnc 687 (CAS 128022-68-4), with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol. IUPAC: 5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-8-nitro-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
Chemical Property Profile of Nnc 687
Property Insights of Nnc 687
The XLogP value of 2.8551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nnc 687. The TPSA of 75.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Nnc 687. Following Lipinski's Rule of Five, Nnc 687 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 Nnc 687?
The CAS number of Nnc 687 is 128022-68-4.
What is the molecular formula of Nnc 687?
The molecular formula of Nnc 687 is C19H20N2O4.
What is the molecular weight of Nnc 687?
The molecular weight of Nnc 687 is 340.14 g/mol.
Where can I buy Nnc 687?
You can request a quote for Nnc 687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nnc 687?
Yes, KEHONG BIO provides custom synthesis services for Nnc 687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.