![{1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate structure](/static/products/3637/36370-27-1.webp)
{1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate
TL;DR: {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate (CAS 36370-27-1) is a chemical compound with molecular formula C22H26O5S and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-1-(phenylmethoxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate
Also Known As: [2-oxo-1-(phenylmethoxymethyl)cyclohexyl]methyl 4-methylbenz|{1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate|[2-oxo-1-(phenylmethoxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate|2-[(4-methylphenyl)sulfonyloxymethyl]-2-(phenylmethoxymethyl)cyclohexan-1-one
| Molecular Formula | C22H26O5S |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.1501 |
| Heavy Atoms | 28 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 36370-27-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCC2=O)COCC3=CC=CC=C3 |
| InChIKey | SWXBZFFQWSZJKZ-UHFFFAOYSA-N |
Product Overview
{1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate (CAS 36370-27-1), with molecular formula C22H26O5S and molecular weight 402.15 g/mol. IUPAC: [2-oxo-1-(phenylmethoxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate
Property Insights of {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate
The XLogP value of 3.5 indicates that {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate has 0 hydrogen bond donor(s) and 5 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-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate?
The CAS number of {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate is 36370-27-1.
What is the molecular formula of {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate?
The molecular formula of {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate is C22H26O5S.
What is the molecular weight of {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate?
The molecular weight of {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate is 402.15 g/mol.
Where can I buy {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate?
You can request a quote for {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for {1-[(Benzyloxy)methyl]-2-oxocyclohexyl}methyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.