(6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
TL;DR: (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 875529-77-4) is a chemical compound with molecular formula C15H12BrNO4S and molecular weight 380.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-bromo-1,3-benzodioxol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate, (6-bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C15H12BrNO4S |
|---|---|
| Molecular Weight | 380.97 g/mol |
| LogP | 3.6517 |
| Topological Polar Surface Area | 57.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.96704 |
| Heavy Atoms | 22 |
| Complexity | 722.6838 |
Chemical Identifiers
| CAS Number | 875529-77-4 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC2=CC3=C(C=C2Br)OCO3 |
Product Overview
(6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 875529-77-4), with molecular formula C15H12BrNO4S and molecular weight 380.97 g/mol. IUPAC: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
Property Insights of (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
The XLogP value of 3.6517 indicates that (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.65 Ų, (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The CAS number of (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 875529-77-4.
What is the molecular formula of (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular formula of (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate is C15H12BrNO4S.
What is the molecular weight of (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular weight of (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 380.97 g/mol.
Where can I buy (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
You can request a quote for (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (6-Bromo-1,3-dioxaindan-5-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.