4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol
TL;DR: 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol (CAS 85329-35-7) is a chemical compound with molecular formula C22H26O5S2 and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-bis(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol
Also Known As: 4,8-bis(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol, 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol, 4,8-bis(benzenesulfonyl)-2,6-dimethylidene-octan-1-ol
| Molecular Formula | C22H26O5S2 |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 434.12216 |
| Heavy Atoms | 29 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 85329-35-7 |
|---|---|
| SMILES | C=C(CCS(=O)(=O)C1=CC=CC=C1)CC(CC(=C)CO)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | UXQBTNUFIITBHP-UHFFFAOYSA-N |
Product Overview
4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol (CAS 85329-35-7), with molecular formula C22H26O5S2 and molecular weight 434.12 g/mol. IUPAC: 4,8-bis(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol.
Chemical Property Profile of 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol
Property Insights of 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol
The XLogP value of 4.3 indicates that 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol. Following Lipinski's Rule of Five, 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol has 1 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 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol?
The CAS number of 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol is 85329-35-7.
What is the molecular formula of 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol?
The molecular formula of 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol is C22H26O5S2.
What is the molecular weight of 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol?
The molecular weight of 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol is 434.12 g/mol.
Where can I buy 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol?
You can request a quote for 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.