NSC 171427
TL;DR: NSC 171427 (CAS 33433-18-0) is a chemical compound with molecular formula C40H55N3 and molecular weight 577.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[[2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentylidene]amino]methyl]-N,N,4-trimethyl-3-naphthalen-2-ylhexan-1-amine
Also Known As: 1,4-Butanediamine, 2-sec-butyl-N1-(2-(2-(dimethylamino)ethyl)-3-methyl-2-(2-naphthyl)pentylidene)-N4,N4-dimethyl-2-(2-naphthyl)-, 2-Naphthalenepropylamine, gamma,gamma'-(nitrilodimethylene)bis(gamma-sec-butyl-N,N-dimethyl-, gamma,gamma'-(Nitrilodimethylene)bis(gamma-sec-butyl-N,N-dimethyl-2-naphthalenepropylamine), 2-(butan-2-yl)-n1-[(1e)-2-[2-(dimethylamino)ethyl]-3-methyl-2-(naphthalen-2-yl)pentylidene]-n4,n4-dimethyl-2-(naphthalen-2-yl)butane-1,4-diamine, gamma,gamma-(Nitrilodimethylene)bis(gamma-sec-butyl-N,N-dimethyl-2-napht
| Molecular Formula | C40H55N3 |
|---|---|
| Molecular Weight | 577.44 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 577.4396 |
| Heavy Atoms | 43 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 33433-18-0 |
|---|---|
| SMILES | CCC(C)C(CCN(C)C)(CN=CC(CCN(C)C)(C1=CC2=CC=CC=C2C=C1)C(C)CC)C3=CC4=CC=CC=C4C=C3 |
| InChIKey | FACBNIVXFTWYBD-UHFFFAOYSA-N |
Product Overview
NSC 171427 (CAS 33433-18-0), with molecular formula C40H55N3 and molecular weight 577.44 g/mol. IUPAC: 3-[[[2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentylidene]amino]methyl]-N,N,4-trimethyl-3-naphthalen-2-ylhexan-1-amine.
Chemical Property Profile of NSC 171427
Property Insights of NSC 171427
The XLogP value of 10.1 indicates that NSC 171427 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.8 Ų, NSC 171427 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NSC 171427 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NSC 171427?
The CAS number of NSC 171427 is 33433-18-0.
What is the molecular formula of NSC 171427?
The molecular formula of NSC 171427 is C40H55N3.
What is the molecular weight of NSC 171427?
The molecular weight of NSC 171427 is 577.44 g/mol.
Where can I buy NSC 171427?
You can request a quote for NSC 171427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 171427?
Yes, KEHONG BIO provides custom synthesis services for NSC 171427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.