芸薹素
TL;DR: 芸薹素 (CAS 105749-72-2) is a chemical compound with molecular formula C11H12N2S2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
芸薹素
methyl N-(1H-indol-3-ylmethyl)carbamodithioate
Also Known As: Brassinin, Brassinine, Brassinin, 1, Brassinin?, (4-ethoxyanilino) acetate
| Molecular Formula | C11H12N2S2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.9054 |
| Topological Polar Surface Area | 27.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.04419 |
| Heavy Atoms | 15 |
| Complexity | 476.14758 |
Chemical Identifiers
| CAS Number | 105749-72-2 |
|---|---|
| SMILES | CSC(=S)NCC1=CNC2=CC=CC=C21 |
Product Overview
芸薹素 (CAS 105749-72-2), with molecular formula C11H12N2S2 and molecular weight 236.04 g/mol. IUPAC: methyl N-(1H-indol-3-ylmethyl)carbamodithioate.
Chemical Property Profile of 芸薹素
Property Insights of 芸薹素
The XLogP value of 2.9054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 芸薹素. With a topological polar surface area (TPSA) of 27.82 Ų, 芸薹素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 芸薹素 has 2 hydrogen bond donor(s) and 2 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 芸薹素?
The CAS number of 芸薹素 is 105749-72-2.
What is the molecular formula of 芸薹素?
The molecular formula of 芸薹素 is C11H12N2S2.
What is the molecular weight of 芸薹素?
The molecular weight of 芸薹素 is 236.04 g/mol.
Where can I buy 芸薹素?
You can request a quote for 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 芸薹素?
Yes, KEHONG BIO provides custom synthesis services for 芸薹素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.