环芸薹素
TL;DR: 环芸薹素 (CAS 116139-52-7) is a chemical compound with molecular formula C11H10N2S2 and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环芸薹素
2-methylsulfanyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
Also Known As: CYCLOBRASSININ, Cyclobrassinine, 1,3-Thiazino[6,5-b]indole,4,9-dihydro-2-(methylthio)-, 1,3-Thiazino(6,5-b)indole, 4,9-dihydro-2-(methylthio)-, 2-methylsulfanyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
| Molecular Formula | C11H10N2S2 |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.02853 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 116139-52-7 |
|---|---|
| SMILES | CSC1=NCC2=C(S1)NC3=CC=CC=C23 |
| InChIKey | MVMVWNMQGBYIDM-UHFFFAOYSA-N |
Product Overview
环芸薹素 (CAS 116139-52-7), with molecular formula C11H10N2S2 and molecular weight 234.03 g/mol. IUPAC: 2-methylsulfanyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole.
Chemical Property Profile of 环芸薹素
Property Insights of 环芸薹素
The XLogP value of 3.3 indicates that 环芸薹素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 环芸薹素. Following Lipinski's Rule of Five, 环芸薹素 has 1 hydrogen bond donor(s) and 3 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 环芸薹素?
The CAS number of 环芸薹素 is 116139-52-7.
What is the molecular formula of 环芸薹素?
The molecular formula of 环芸薹素 is C11H10N2S2.
What is the molecular weight of 环芸薹素?
The molecular weight of 环芸薹素 is 234.03 g/mol.
Where can I buy 环芸薹素?
You can request a quote for 环芸薹素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环芸薹素?
Yes, KEHONG BIO provides custom synthesis services for 环芸薹素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.