Methoxybrassinin
TL;DR: Methoxybrassinin (CAS 105748-60-5) is a chemical compound with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H14N2OS2 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 2.4372 |
| Topological Polar Surface Area | 26.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.05475 |
| Heavy Atoms | 17 |
| Complexity | 536.2852 |
Chemical Identifiers
| CAS Number | 105748-60-5 |
|---|---|
| SMILES | CON1C=C(C2=CC=CC=C21)CNC(=S)SC |
Product Overview
Methoxybrassinin (CAS 105748-60-5), with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol. IUPAC: methyl N-[(1-methoxyindol-3-yl)methyl]carbamodithioate.
Chemical Property Profile of Methoxybrassinin
Property Insights of Methoxybrassinin
The XLogP value of 2.4372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methoxybrassinin. With a topological polar surface area (TPSA) of 26.19 Ų, Methoxybrassinin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 266.05 g/mol.
Where can I buy Methoxybrassinin?
You can request a quote for Methoxybrassinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methoxybrassinin?
Yes, KEHONG BIO provides custom synthesis services for Methoxybrassinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.