T1801 B
TL;DR: T1801 B (CAS 145345-84-2) is a chemical compound with molecular formula C9H10O2S3 and molecular weight 245.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5-tris(methylsulfanyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: T1801 B, T 1801 B, 2,3,5-tris(methylsulfanyl)cyclohexa-2,5-diene-1,4-dione, T-1801B, 2,3,5-Tris(methylthio)-1,4-benzoquinone
| Molecular Formula | C9H10O2S3 |
|---|---|
| Molecular Weight | 245.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.9843 |
| Heavy Atoms | 14 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 145345-84-2 |
|---|---|
| SMILES | CSC1=CC(=O)C(=C(C1=O)SC)SC |
| InChIKey | ZWUJNEVMDJFNJO-UHFFFAOYSA-N |
Product Overview
T1801 B (CAS 145345-84-2), with molecular formula C9H10O2S3 and molecular weight 245.98 g/mol. IUPAC: 2,3,5-tris(methylsulfanyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of T1801 B
Property Insights of T1801 B
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for T1801 B. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for T1801 B. Following Lipinski's Rule of Five, T1801 B 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 T1801 B?
The CAS number of T1801 B is 145345-84-2.
What is the molecular formula of T1801 B?
The molecular formula of T1801 B is C9H10O2S3.
What is the molecular weight of T1801 B?
The molecular weight of T1801 B is 245.98 g/mol.
Where can I buy T1801 B?
You can request a quote for T1801 B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T1801 B?
Yes, KEHONG BIO provides custom synthesis services for T1801 B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.