1,3,4,5,6-Pentachlorocyclohexene-1-oxide
TL;DR: 1,3,4,5,6-Pentachlorocyclohexene-1-oxide (CAS 93672-46-9) is a chemical compound with molecular formula C6H5Cl5O and molecular weight 267.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3R,4S,5S,6R)-1,2,3,4,5-pentachloro-7-oxabicyclo[4.1.0]heptane
Also Known As: PCHO, 1,3,4,5,6-Pentachlorocyclohexene-1-oxide, 1,2,3,4,5-Pentachloro-7-oxabicyclo[4.1.0]heptane, -1,2,3,4,5-pentachloro-7-oxabicyclo[4.1.0]heptane, (1R,2S,3S,4R,5S,6S)-2,3,4,5,6-pentachloro-7-oxabicyclo[4.1.0]heptane
| Molecular Formula | C6H5Cl5O |
|---|---|
| Molecular Weight | 267.88 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.8783 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 93672-46-9 |
|---|---|
| SMILES | [C@@H]1([C@H]([C@@H]2[C@@](O2)([C@H]([C@@H]1Cl)Cl)Cl)Cl)Cl |
| InChIKey | BHHXTWQURUPAAI-GTTIYYRPSA-N |
Product Overview
1,3,4,5,6-Pentachlorocyclohexene-1-oxide (CAS 93672-46-9), with molecular formula C6H5Cl5O and molecular weight 267.88 g/mol. IUPAC: (1S,2S,3R,4S,5S,6R)-1,2,3,4,5-pentachloro-7-oxabicyclo[4.1.0]heptane.
Chemical Property Profile of 1,3,4,5,6-Pentachlorocyclohexene-1-oxide
Property Insights of 1,3,4,5,6-Pentachlorocyclohexene-1-oxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,5,6-Pentachlorocyclohexene-1-oxide. With a topological polar surface area (TPSA) of 12.5 Ų, 1,3,4,5,6-Pentachlorocyclohexene-1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4,5,6-Pentachlorocyclohexene-1-oxide has 0 hydrogen bond donor(s) and 1 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 1,3,4,5,6-Pentachlorocyclohexene-1-oxide?
The CAS number of 1,3,4,5,6-Pentachlorocyclohexene-1-oxide is 93672-46-9.
What is the molecular formula of 1,3,4,5,6-Pentachlorocyclohexene-1-oxide?
The molecular formula of 1,3,4,5,6-Pentachlorocyclohexene-1-oxide is C6H5Cl5O.
What is the molecular weight of 1,3,4,5,6-Pentachlorocyclohexene-1-oxide?
The molecular weight of 1,3,4,5,6-Pentachlorocyclohexene-1-oxide is 267.88 g/mol.
Where can I buy 1,3,4,5,6-Pentachlorocyclohexene-1-oxide?
You can request a quote for 1,3,4,5,6-Pentachlorocyclohexene-1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,5,6-Pentachlorocyclohexene-1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,5,6-Pentachlorocyclohexene-1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.