3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid
TL;DR: 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid (CAS 57274-38-1) is a chemical compound with molecular formula C10H14O2S6 and molecular weight 357.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decan-1-yl)propanoic acid
Also Known As: 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid, 2,4,6,8,9,10-Hexathiatricyclo[3.3.1.1(3,7)]decane-1-propanoic acid, 3,5,7-trimethyl-, 2,4,6,8,9,10-Hexathiatricyclo[3.3.1.13,7]decane-1-propanoic acid, 3,5,7-trimethyl-, 3-{3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decan-1-yl}propanoic acid
| Molecular Formula | C10H14O2S6 |
|---|---|
| Molecular Weight | 357.93 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.9318 |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 57274-38-1 |
|---|---|
| SMILES | CC12SC3(SC(S1)(SC(S2)(S3)CCC(=O)O)C)C |
| InChIKey | UPMUMEZITYQJOL-UHFFFAOYSA-N |
Product Overview
3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid (CAS 57274-38-1), with molecular formula C10H14O2S6 and molecular weight 357.93 g/mol. IUPAC: 3-(3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decan-1-yl)propanoic acid.
Chemical Property Profile of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid
Property Insights of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid
The XLogP value of 4.7 indicates that 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid has 1 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 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid?
The CAS number of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid is 57274-38-1.
What is the molecular formula of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid?
The molecular formula of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid is C10H14O2S6.
What is the molecular weight of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid?
The molecular weight of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid is 357.93 g/mol.
Where can I buy 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid?
You can request a quote for 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.