ghl.PD_Mitscher_leg0.665
TL;DR: ghl.PD_Mitscher_leg0.665 (CAS 20518-14-3) is a chemical compound with molecular formula C22H26O6S2 and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(4-methylphenyl)sulfonyloxymethyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate
Also Known As: ghl.PD_Mitscher_leg0.665, KST-1A8105, (6-((((4-Methylphenyl)sulfonyl)oxy)methyl)-3-cyclohexen-1-yl)methyl 4-methylbenzenesulfonate, cis-4,5-Bis-(p-tosyloxymethyl)-cyclohexen, cyclohex-4-ene-1,2-diylbis(methylene) bis(4-methylbenzenesul
| Molecular Formula | C22H26O6S2 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.1171 |
| Heavy Atoms | 30 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 20518-14-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2CC=CCC2COS(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | IJTLQNHNJKDWSK-UHFFFAOYSA-N |
Product Overview
ghl.PD_Mitscher_leg0.665 (CAS 20518-14-3), with molecular formula C22H26O6S2 and molecular weight 450.12 g/mol. IUPAC: [6-[(4-methylphenyl)sulfonyloxymethyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of ghl.PD_Mitscher_leg0.665
Property Insights of ghl.PD_Mitscher_leg0.665
The XLogP value of 4.6 indicates that ghl.PD_Mitscher_leg0.665 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ghl.PD_Mitscher_leg0.665. Following Lipinski's Rule of Five, ghl.PD_Mitscher_leg0.665 has 0 hydrogen bond donor(s) and 6 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 ghl.PD_Mitscher_leg0.665?
The CAS number of ghl.PD_Mitscher_leg0.665 is 20518-14-3.
What is the molecular formula of ghl.PD_Mitscher_leg0.665?
The molecular formula of ghl.PD_Mitscher_leg0.665 is C22H26O6S2.
What is the molecular weight of ghl.PD_Mitscher_leg0.665?
The molecular weight of ghl.PD_Mitscher_leg0.665 is 450.12 g/mol.
Where can I buy ghl.PD_Mitscher_leg0.665?
You can request a quote for ghl.PD_Mitscher_leg0.665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ghl.PD_Mitscher_leg0.665?
Yes, KEHONG BIO provides custom synthesis services for ghl.PD_Mitscher_leg0.665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.