2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl-
TL;DR: 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl- (CAS 21404-64-8) is a chemical compound with molecular formula C14H16S6 and molecular weight 375.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decane
Also Known As: 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl-, 1-Benzyl-3,5,7-trimethyl-2,4,6,8,9,10-hexathiaadamantane, 1-Benzyl-3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.1~3,7~]decane, 1-benzyl-3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decane, RefChem:317601
| Molecular Formula | C14H16S6 |
|---|---|
| Molecular Weight | 375.96 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.95764 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 21404-64-8 |
|---|---|
| SMILES | CC12SC3(SC(S1)(SC(S2)(S3)CC4=CC=CC=C4)C)C |
| InChIKey | ISCISHPWLKFKKZ-UHFFFAOYSA-N |
Product Overview
2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl- (CAS 21404-64-8), with molecular formula C14H16S6 and molecular weight 375.96 g/mol. IUPAC: 1-benzyl-3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl-
Property Insights of 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl-
The XLogP value of 6.8 indicates that 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl-?
The CAS number of 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl- is 21404-64-8.
What is the molecular formula of 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl-?
The molecular formula of 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl- is C14H16S6.
What is the molecular weight of 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl-?
The molecular weight of 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl- is 375.96 g/mol.
Where can I buy 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl-?
You can request a quote for 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6,8,9,10-Hexathiaadamantane, 1-benzyl-3,5,7-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.