1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane
TL;DR: 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane (CAS 57274-30-3) is a chemical compound with molecular formula C8H12S5 and molecular weight 267.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-2,4,6,8,9-pentathiatricyclo[3.3.1.13,7]decane
Also Known As: 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane, 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane, 1,3,7-trimethyl-
| Molecular Formula | C8H12S5 |
|---|---|
| Molecular Weight | 267.95 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.95425 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 57274-30-3 |
|---|---|
| SMILES | CC12CC3(SC(S1)SC(S2)(S3)C)C |
| InChIKey | KBBWNGKKSRRDMH-UHFFFAOYSA-N |
Product Overview
1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane (CAS 57274-30-3), with molecular formula C8H12S5 and molecular weight 267.95 g/mol. IUPAC: 1,3,7-trimethyl-2,4,6,8,9-pentathiatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane
Property Insights of 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane
The XLogP value of 4.6 indicates that 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane. Following Lipinski's Rule of Five, 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane has 0 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 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane?
The CAS number of 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane is 57274-30-3.
What is the molecular formula of 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane?
The molecular formula of 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane is C8H12S5.
What is the molecular weight of 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane?
The molecular weight of 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane is 267.95 g/mol.
Where can I buy 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane?
You can request a quote for 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Trimethyl-2,4,6,8,9-pentathiaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.