(2-Oxocyclododecyl) 4-methylbenzenesulfonate
TL;DR: (2-Oxocyclododecyl) 4-methylbenzenesulfonate (CAS 3667-84-3) is a chemical compound with molecular formula C19H28O4S and molecular weight 352.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxocyclododecyl) 4-methylbenzenesulfonate
Also Known As: 2-(Tosyloxy)cyclododecane-1-one, (2-oxocyclododecyl) 4-methylbenzenesulfonate, 2-oxocyclododecyl 4-methylbenzene-1-sulfonate, J1.745.203G, 2-[[(4-METHYLPHENYL)SULFONYL]OXY]CYCLODODECANONE
| Molecular Formula | C19H28O4S |
|---|---|
| Molecular Weight | 352.17 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.17084 |
| Heavy Atoms | 24 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 3667-84-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCCCCCCCC2=O |
| InChIKey | WKROSNASDKHTEZ-UHFFFAOYSA-N |
Product Overview
(2-Oxocyclododecyl) 4-methylbenzenesulfonate (CAS 3667-84-3), with molecular formula C19H28O4S and molecular weight 352.17 g/mol. IUPAC: (2-oxocyclododecyl) 4-methylbenzenesulfonate.
Chemical Property Profile of (2-Oxocyclododecyl) 4-methylbenzenesulfonate
Property Insights of (2-Oxocyclododecyl) 4-methylbenzenesulfonate
The XLogP value of 5.5 indicates that (2-Oxocyclododecyl) 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Oxocyclododecyl) 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (2-Oxocyclododecyl) 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Oxocyclododecyl) 4-methylbenzenesulfonate?
The CAS number of (2-Oxocyclododecyl) 4-methylbenzenesulfonate is 3667-84-3.
What is the molecular formula of (2-Oxocyclododecyl) 4-methylbenzenesulfonate?
The molecular formula of (2-Oxocyclododecyl) 4-methylbenzenesulfonate is C19H28O4S.
What is the molecular weight of (2-Oxocyclododecyl) 4-methylbenzenesulfonate?
The molecular weight of (2-Oxocyclododecyl) 4-methylbenzenesulfonate is 352.17 g/mol.
Where can I buy (2-Oxocyclododecyl) 4-methylbenzenesulfonate?
You can request a quote for (2-Oxocyclododecyl) 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-Oxocyclododecyl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxocyclododecyl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.