![(1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate structure](/static/products/1987/19873-25-7.webp)
(1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate
TL;DR: (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate (CAS 19873-25-7) is a chemical compound with molecular formula C18H24O5S and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4'-methylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.2]octane]-1'-yl) 4-methylbenzenesulfonate
Also Known As: (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate, (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-, 1-Methylspiro[bicyclo[2.2.2]octane-2,2'-[1,3]dioxolan]-4-yl 4-methylbenzene-1-sulfonate
| Molecular Formula | C18H24O5S |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.13443 |
| Heavy Atoms | 24 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 19873-25-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC23CCC(CC2)(C4(C3)OCCO4)C |
| InChIKey | YVNYDVUJOKCFEP-UHFFFAOYSA-N |
Product Overview
(1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate (CAS 19873-25-7), with molecular formula C18H24O5S and molecular weight 352.13 g/mol. IUPAC: (4'-methylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.2]octane]-1'-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate
Property Insights of (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate 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'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate?
The CAS number of (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate is 19873-25-7.
What is the molecular formula of (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate?
The molecular formula of (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate is C18H24O5S.
What is the molecular weight of (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate?
The molecular weight of (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate is 352.13 g/mol.
Where can I buy (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate?
You can request a quote for (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (1'-methylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.2]octane]-4'-yl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.