NNC 161
TL;DR: NNC 161 (CAS 325819-95-2) is a chemical compound with molecular formula C20H28ClNO and molecular weight 333.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]butan-1-amine;hydrochloride
Also Known As: NNC 161, LY 042826, 1-Butanamine, N-(2-((2-methylphenyl)phenylmethoxy)ethyl)-, hydrochloride, N-(2-((2-methylphenyl)(phenyl)methoxy)ethyl)-1-butanamine, 1-Butanamine, N-(2-((2-methylphenyl)phenylmethoxy)ethyl)-, hydrochloride (1:1)
| Molecular Formula | C20H28ClNO |
|---|---|
| Molecular Weight | 333.19 g/mol |
| LogP | 4.91252 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 333.18594 |
| Heavy Atoms | 23 |
| Complexity | 544.3478 |
Chemical Identifiers
| CAS Number | 325819-95-2 |
|---|---|
| SMILES | CCCCNCCOC(C1=CC=CC=C1)C2=CC=CC=C2C.Cl |
Product Overview
NNC 161 (CAS 325819-95-2), with molecular formula C20H28ClNO and molecular weight 333.19 g/mol. IUPAC: N-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]butan-1-amine;hydrochloride.
Chemical Property Profile of NNC 161
Property Insights of NNC 161
The XLogP value of 4.91252 indicates that NNC 161 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, NNC 161 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NNC 161 has 1 hydrogen bond donor(s) and 2 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 161?
The CAS number of NNC 161 is 325819-95-2.
What is the molecular formula of NNC 161?
The molecular formula of NNC 161 is C20H28ClNO.
What is the molecular weight of NNC 161?
The molecular weight of NNC 161 is 333.19 g/mol.
Where can I buy NNC 161?
You can request a quote for NNC 161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NNC 161?
Yes, KEHONG BIO provides custom synthesis services for NNC 161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.