1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate
TL;DR: 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate (CAS 37619-38-8) is a chemical compound with molecular formula C14H18O4S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-2-oxocyclopentyl)methyl 4-methylbenzenesulfonate
Also Known As: 1-METHYL-2-OXOCYCLOPENTYLMETHYL P-TOLUENESULFONATE, (1-methyl-2-oxocyclopentyl)methyl 4-methylbenzenesulfonate, (1-methyl-2-oxocyclopentyl)methyl 4-methylbenzene-1-sulfonate, 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]cyclopentan-1-one, 636-442-1
| Molecular Formula | C14H18O4S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.45962 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0926 |
| Heavy Atoms | 19 |
| Complexity | 573.96844 |
Chemical Identifiers
| CAS Number | 37619-38-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCC2=O)C |
Product Overview
1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate (CAS 37619-38-8), with molecular formula C14H18O4S and molecular weight 282.09 g/mol. IUPAC: (1-methyl-2-oxocyclopentyl)methyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate
Property Insights of 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate
The XLogP value of 2.45962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate. Following Lipinski's Rule of Five, 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate has 0 hydrogen bond donor(s) and 4 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-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate?
The CAS number of 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate is 37619-38-8.
What is the molecular formula of 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate?
The molecular formula of 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate is C14H18O4S.
What is the molecular weight of 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate?
The molecular weight of 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate is 282.09 g/mol.
Where can I buy 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate?
You can request a quote for 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-oxocyclopentylmethyl p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.