![5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine structure](/static/products/864/86451-38-9.png)
5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine
TL;DR: 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine (CAS 86451-38-9) is a chemical compound with molecular formula C17H18ClNO2S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine
Also Known As: 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine, Hexanedioic acid,2,2-dimethyl-3-oxo-,1-ethyl ester, 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]d, 5-{[(4-chlorophenyl)sulfanyl]methyl}-2,2,8-trimethyl-4h-[1,3]dioxino[4,5-c]pyridine, 4H-1,3-Dioxino[4,5-c]pyridine,5-[[(4-chlorophenyl)thio]methyl]-2,2,8-trimethyl-
| Molecular Formula | C17H18ClNO2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.07468 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 86451-38-9 |
|---|---|
| SMILES | CC1=NC=C(C2=C1OC(OC2)(C)C)CSC3=CC=C(C=C3)Cl |
| InChIKey | QOQFIHNYLQDDPB-UHFFFAOYSA-N |
Product Overview
5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine (CAS 86451-38-9), with molecular formula C17H18ClNO2S and molecular weight 335.07 g/mol. IUPAC: 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine.
Chemical Property Profile of 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine
Property Insights of 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine
The XLogP value of 4.0 indicates that 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.7 Ų, 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine has 0 hydrogen bond donor(s) and 4 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 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine?
The CAS number of 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine is 86451-38-9.
What is the molecular formula of 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine?
The molecular formula of 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine is C17H18ClNO2S.
What is the molecular weight of 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine?
The molecular weight of 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine is 335.07 g/mol.
Where can I buy 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine?
You can request a quote for 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-chlorophenyl)sulfanylmethyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.