Nnc 112
TL;DR: Nnc 112 (CAS 125341-24-4) is a chemical compound with molecular formula C19H18ClNO2 and molecular weight 327.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S)-5-(1-benzofuran-7-yl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Also Known As: Nnc 112, no112, (S)-NCC122, NNC 0112, (+)-NNC 112
Technical Specifications
| Molecular Formula | C19H18ClNO2 |
| Molecular Weight | 327.1026 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 36.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.1026 Da |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
| SMILES | CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC4=C3OC=C4)O)Cl |
| InChIKey | RUSANBIFMAXXSJ-MRXNPFEDSA-N |
Chemical Property Profile of Nnc 112
Property Insights of Nnc 112
The XLogP value of 4.4 indicates that Nnc 112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.6 Ų, Nnc 112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nnc 112 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nnc 112?
The CAS number of Nnc 112 is 125341-24-4.
What is the molecular formula of Nnc 112?
The molecular formula of Nnc 112 is C19H18ClNO2.
What is the molecular weight of Nnc 112?
The molecular weight of Nnc 112 is 327.1026 g/mol.
Where can I buy Nnc 112?
You can request a quote for Nnc 112 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nnc 112?
Yes, CoreyChem provides custom synthesis services for Nnc 112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.