(3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene
TL;DR: (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene (CAS 319-81-3) is a chemical compound with molecular formula C6H6Cl4 and molecular weight 217.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,5R,6S)-3,4,5,6-tetrachlorocyclohexene
Also Known As: gamma-BTC, -3,4,5,6-Tetrachlorocyclohexene, KST-1A3860, c0140, (3r,4r,5r,6s)-3,4,5,6-tetrachlorocyclohexene
| Molecular Formula | C6H6Cl4 |
|---|---|
| Molecular Weight | 217.92 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.91942 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 319-81-3 |
|---|---|
| SMILES | C1=C[C@@H]([C@H]([C@@H]([C@@H]1Cl)Cl)Cl)Cl |
| InChIKey | CHTOKGBXCBVHQO-JGWLITMVSA-N |
Product Overview
(3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene (CAS 319-81-3), with molecular formula C6H6Cl4 and molecular weight 217.92 g/mol. IUPAC: (3R,4R,5R,6S)-3,4,5,6-tetrachlorocyclohexene.
Chemical Property Profile of (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene
Property Insights of (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene
The XLogP value of 3.7 indicates that (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene 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
Frequently Asked Questions
What is the CAS number of (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene?
The CAS number of (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene is 319-81-3.
What is the molecular formula of (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene?
The molecular formula of (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene is C6H6Cl4.
What is the molecular weight of (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene?
The molecular weight of (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene is 217.92 g/mol.
Where can I buy (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene?
You can request a quote for (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene?
Yes, KEHONG BIO provides custom synthesis services for (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.