methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide
TL;DR: methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide (CAS 348577-61-7) is a chemical compound with molecular formula C24H21N3O5S and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate
Also Known As: methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide, methyl 2-[3-[[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate
| Molecular Formula | C24H21N3O5S |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 3.0443 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.12018 |
| Heavy Atoms | 33 |
| Complexity | 1310.4269 |
Chemical Identifiers
| CAS Number | 348577-61-7 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)OC)C(=O)NC2=S |
Product Overview
methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide (CAS 348577-61-7), with molecular formula C24H21N3O5S and molecular weight 463.12 g/mol. IUPAC: methyl 2-[3-[[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate.
Chemical Property Profile of methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide
Property Insights of methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide
The XLogP value of 3.0443 indicates that methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide. Following Lipinski's Rule of Five, methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide has 1 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 methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide?
The CAS number of methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide is 348577-61-7.
What is the molecular formula of methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide?
The molecular formula of methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide is C24H21N3O5S.
What is the molecular weight of methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide?
The molecular weight of methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide is 463.12 g/mol.
Where can I buy methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide?
You can request a quote for methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[3-[(E)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.