Methoxybrassinin
TL;DR: Methoxybrassinin (CAS 105748-60-5) is a chemical compound with molecular formula C12H14N2OS2 and molecular weight 266.05475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[(1-methoxyindol-3-yl)methyl]carbamodithioate
Also Known As: Methoxybrassinin, N-Methoxybrassinin, 1-METHOXYBRASSININ, starbld0003742, methyl N-[(1-methoxyindol-3-yl)methyl]carbamodithioate
Technical Specifications
| Molecular Formula | C12H14N2OS2 |
| Molecular Weight | 266.05475 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.05475 Da |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
| SMILES | CON1C=C(C2=CC=CC=C21)CNC(=S)SC |
| InChIKey | KFZBENSULWNJKD-UHFFFAOYSA-N |
Chemical Property Profile of Methoxybrassinin
Property Insights of Methoxybrassinin
The XLogP value of 3.1 indicates that Methoxybrassinin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methoxybrassinin. Following Lipinski's Rule of Five, Methoxybrassinin 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
What is the CAS number of Methoxybrassinin?
The CAS number of Methoxybrassinin is 105748-60-5.
What is the molecular formula of Methoxybrassinin?
The molecular formula of Methoxybrassinin is C12H14N2OS2.
What is the molecular weight of Methoxybrassinin?
The molecular weight of Methoxybrassinin is 266.05475 g/mol.
Where can I buy Methoxybrassinin?
You can request a quote for Methoxybrassinin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methoxybrassinin?
Yes, CoreyChem provides custom synthesis services for Methoxybrassinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.