J3.709.942B
TL;DR: J3.709.942B (CAS 376378-80-2) is a chemical compound with molecular formula C18H19NO4S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-ylethanone
Also Known As: J3.709.942B, 1-(2-Thienyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-5-yl)ethanone, 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(thiophen-2-yl)ethanone, 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(thiophen-2-yl)ethanone, 2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-ylethanone
| Molecular Formula | C18H19NO4S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 3.2874 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.1035 |
| Heavy Atoms | 24 |
| Complexity | 771.8211 |
Chemical Identifiers
| CAS Number | 376378-80-2 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CC(=O)C4=CC=CS4)OC)OCO3 |
Product Overview
J3.709.942B (CAS 376378-80-2), with molecular formula C18H19NO4S and molecular weight 345.10 g/mol. IUPAC: 2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-ylethanone.
Chemical Property Profile of J3.709.942B
Property Insights of J3.709.942B
The XLogP value of 3.2874 indicates that J3.709.942B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, J3.709.942B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J3.709.942B 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 J3.709.942B?
The CAS number of J3.709.942B is 376378-80-2.
What is the molecular formula of J3.709.942B?
The molecular formula of J3.709.942B is C18H19NO4S.
What is the molecular weight of J3.709.942B?
The molecular weight of J3.709.942B is 345.10 g/mol.
Where can I buy J3.709.942B?
You can request a quote for J3.709.942B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.709.942B?
Yes, KEHONG BIO provides custom synthesis services for J3.709.942B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.