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s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- structure
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s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino-

TL;DR: s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- (CAS 111535-42-3) is a chemical compound with molecular formula C17H24ClN5 and molecular weight 333.17203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

6-chloro-4-N-(1-phenylethyl)-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

Also Known As: 5-Hydroxyisoavrainvilleol, s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino-, 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N-bis(1-methylethyl)-N'-(1-phenylethyl)-, 4-Chloro-6-[(1-phenylethyl)imino]-N,N-di(propan-2-yl)-1,6-dihydro-1,3,5-triazin-2-amine, 6-chloro-4-N-(1-phenylethyl)-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

CAS Number
111535-42-3
Molecular Formula
C17H24ClN5
Molecular Weight
333.17203 g/mol
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Technical Specifications

Molecular FormulaC17H24ClN5
Molecular Weight333.17203 g/mol
XLogP5.2
Topological Polar Surface Area (TPSA)53.9 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors5
Rotatable Bonds6
Exact Mass333.17203 Da
Heavy Atoms23
Complexity338.0
SMILESCC(C)N(C1=NC(=NC(=N1)NC(C)C2=CC=CC=C2)Cl)C(C)C
InChIKeyHKLHDWRTLRCXJM-UHFFFAOYSA-N

Chemical Property Profile of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino-

XLogP
5.2
TPSA (Topological Polar Surface Area)
53.9
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
6
Heavy Atoms
23
Complexity
338.0
Exact Mass
333.17203
Monoisotopic Mass
333.17203
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino-

The XLogP value of 5.2 indicates that s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.9 Ų, s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino-?

The CAS number of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- is 111535-42-3.

What is the molecular formula of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino-?

The molecular formula of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- is C17H24ClN5.

What is the molecular weight of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino-?

The molecular weight of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- is 333.17203 g/mol.

Where can I buy s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino-?

You can request a quote for s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino-?

Yes, CoreyChem provides custom synthesis services for s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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