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(1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane structure
Fine Chemical

(1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane

TL;DR: (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane (CAS 120163-22-6) is a chemical compound with molecular formula C10H14BrCl3 and molecular weight 317.93445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane

Also Known As: Telfairin, Tlfairin, (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane, (1S)-2beta,4beta,5alpha-Trichloro-1,5-dimethyl-1beta-[(E)-2-bromoethenyl]cyclohexane, (1S,2S,4R,5R)-1-[(1E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane

CAS Number
120163-22-6
Molecular Formula
C10H14BrCl3
Molecular Weight
317.93445 g/mol
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Technical Specifications

Molecular FormulaC10H14BrCl3
Molecular Weight317.93445 g/mol
XLogP4.7
Topological Polar Surface Area (TPSA)0.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors0
Rotatable Bonds1
Exact Mass317.93445 Da
Heavy Atoms14
Complexity244.0
SMILESC[C@]1(C[C@@]([C@@H](C[C@@H]1Cl)Cl)(C)Cl)/C=C/Br
InChIKeySXHBUXFDGVTGQV-UKVBZMNQSA-N

Chemical Property Profile of (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane

XLogP
4.7
TPSA (Topological Polar Surface Area)
0.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
Rotatable Bonds
1
Heavy Atoms
14
Complexity
244.0
Exact Mass
317.93445
Monoisotopic Mass
317.93445
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 (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane

The XLogP value of 4.7 indicates that (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane?

The CAS number of (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane is 120163-22-6.

What is the molecular formula of (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane?

The molecular formula of (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane is C10H14BrCl3.

What is the molecular weight of (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane?

The molecular weight of (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane is 317.93445 g/mol.

Where can I buy (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane?

You can request a quote for (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane?

Yes, CoreyChem provides custom synthesis services for (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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