2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate
TL;DR: 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate (CAS 63064-32-4) is a chemical compound with molecular formula C13H18O3S and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylcyclopropyl)ethyl 4-methylbenzenesulfonate
Also Known As: 2-(1-methylcyclopropyl)ethyl 4-methylbenzenesulfonate, 2-(1-methylcyclopropyl)ethyl 4-methylbenzene-1-sulfonate, 1-METHYLCYCLOPROPANEETHANOL, 4-METHYLBENZENESULFONATE, CYCLOPROPANEETHANOL,1-METHYL-, 1-(4-METHYLBENZENESULFONATE)
| Molecular Formula | C13H18O3S |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.09767 |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 63064-32-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CC2)C |
| InChIKey | KFJBZURNXUCBEB-UHFFFAOYSA-N |
Product Overview
2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate (CAS 63064-32-4), with molecular formula C13H18O3S and molecular weight 254.10 g/mol. IUPAC: 2-(1-methylcyclopropyl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate
Property Insights of 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate
The XLogP value of 3.3 indicates that 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 3 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 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate?
The CAS number of 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate is 63064-32-4.
What is the molecular formula of 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate?
The molecular formula of 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate is C13H18O3S.
What is the molecular weight of 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate?
The molecular weight of 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate is 254.10 g/mol.
Where can I buy 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate?
You can request a quote for 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylcyclopropyl)ethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.