![Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester structure](/static/products/7595/7595-86-0.webp)
Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester
TL;DR: Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester (CAS 7595-86-0) is a chemical compound with molecular formula C23H26O8S and molecular weight 462.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methyl 4-methylbenzenesulfonate
Also Known As: Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester, (2,2-Dimethyl-5-phenyltetrahydro-2H,3bH,5H-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-7-yl)methyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C23H26O8S |
|---|---|
| Molecular Weight | 462.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.13483 |
| Heavy Atoms | 32 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 7595-86-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C4C(O3)OC(O4)(C)C)OC(O2)C5=CC=CC=C5 |
| InChIKey | BCJBAXJHMAKUCG-UHFFFAOYSA-N |
Product Overview
Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester (CAS 7595-86-0), with molecular formula C23H26O8S and molecular weight 462.13 g/mol. IUPAC: (4,4-dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methyl 4-methylbenzenesulfonate.
Chemical Property Profile of Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester
Property Insights of Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester. Following Lipinski's Rule of Five, Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester has 0 hydrogen bond donor(s) and 8 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 Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester?
The CAS number of Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester is 7595-86-0.
What is the molecular formula of Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester?
The molecular formula of Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester is C23H26O8S.
What is the molecular weight of Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester?
The molecular weight of Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester is 462.13 g/mol.
Where can I buy Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester?
You can request a quote for Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.