![[3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate structure](/static/products/3643/36439-66-4.webp)
[3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate
TL;DR: [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate (CAS 36439-66-4) is a chemical compound with molecular formula C25H28O6S2 and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate
Also Known As: [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate|(Spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropan]-5-ene-2,3-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C25H28O6S2 |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.13272 |
| Heavy Atoms | 33 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 36439-66-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C=CC(C2COS(=O)(=O)C4=CC=C(C=C4)C)C35CC5 |
| InChIKey | JCUAZJAWKPLIGE-UHFFFAOYSA-N |
Product Overview
[3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate (CAS 36439-66-4), with molecular formula C25H28O6S2 and molecular weight 488.13 g/mol. IUPAC: [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate
Property Insights of [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate
The XLogP value of 4.9 indicates that [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate 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 [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate 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 [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate?
The CAS number of [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate is 36439-66-4.
What is the molecular formula of [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate?
The molecular formula of [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate is C25H28O6S2.
What is the molecular weight of [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate?
The molecular weight of [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate is 488.13 g/mol.
Where can I buy [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate?
You can request a quote for [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [3-[(4-methylphenyl)sulfonyloxymethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.