别孕烷二醇
TL;DR: 别孕烷二醇 (CAS 566-58-5) is a chemical compound with molecular formula C21H28O4S2 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
别孕烷二醇
1-tert-butyl-4-[(4-tert-butylphenyl)sulfonylmethylsulfonyl]benzene
Also Known As: 1,1'-(methanediyldisulfonyl)bis(4-tert-butylbenzene), KST-1B5691, 1,1'-(Methylenedisulfonyl)bis(4-tert-butylbenzene), 1-tert-butyl-4-[(4-tert-butylphenyl)sulfonylmethylsulfonyl]benzene
| Molecular Formula | C21H28O4S2 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.1429 |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 566-58-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C |
| InChIKey | SWOGZDBSWSFUIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
别孕烷二醇 (CAS 566-58-5), with molecular formula C21H28O4S2 and molecular weight 408.14 g/mol. IUPAC: 1-tert-butyl-4-[(4-tert-butylphenyl)sulfonylmethylsulfonyl]benzene.
Chemical Property Profile of 别孕烷二醇
Property Insights of 别孕烷二醇
The XLogP value of 5.5 indicates that 别孕烷二醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 别孕烷二醇. Following Lipinski's Rule of Five, 别孕烷二醇 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 别孕烷二醇?
The CAS number of 别孕烷二醇 is 566-58-5.
What is the molecular formula of 别孕烷二醇?
The molecular formula of 别孕烷二醇 is C21H28O4S2.
What is the molecular weight of 别孕烷二醇?
The molecular weight of 别孕烷二醇 is 408.14 g/mol.
Where can I buy 别孕烷二醇?
You can request a quote for 别孕烷二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 别孕烷二醇?
Yes, KEHONG BIO provides custom synthesis services for 别孕烷二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.