T1801 D
TL;DR: T1801 D (CAS 129095-79-0) is a chemical compound with molecular formula C10H12O2S4 and molecular weight 291.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrakis(methylsulfanyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: T1801 D, T 1801 D, 2,3,5,6-tetrakis(methylsulfanyl)cyclohexa-2,5-diene-1,4-dione, T-1801D, 2,3,5,6-Tetrakis(methylthio)-2,5-cyclohexadiene-1,4-dione
| Molecular Formula | C10H12O2S4 |
|---|---|
| Molecular Weight | 291.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.97202 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 129095-79-0 |
|---|---|
| SMILES | CSC1=C(C(=O)C(=C(C1=O)SC)SC)SC |
| InChIKey | BVQQZWJFNMQQQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
T1801 D (CAS 129095-79-0), with molecular formula C10H12O2S4 and molecular weight 291.97 g/mol. IUPAC: 2,3,5,6-tetrakis(methylsulfanyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of T1801 D
Property Insights of T1801 D
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for T1801 D. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for T1801 D. Following Lipinski's Rule of Five, T1801 D has 0 hydrogen bond donor(s) and 6 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 T1801 D?
The CAS number of T1801 D is 129095-79-0.
What is the molecular formula of T1801 D?
The molecular formula of T1801 D is C10H12O2S4.
What is the molecular weight of T1801 D?
The molecular weight of T1801 D is 291.97 g/mol.
Where can I buy T1801 D?
You can request a quote for T1801 D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T1801 D?
Yes, KEHONG BIO provides custom synthesis services for T1801 D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.