![2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione structure](/static/products/3389/338962-71-3.webp)
2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione
TL;DR: 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione (CAS 338962-71-3) is a chemical compound with molecular formula C23H27NO2S and molecular weight 381.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-4H-isoquinoline-1,3-dione
Also Known As: Bionet1_002545, 5M-730, 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione, 2-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-4H-isoquinoline-1,3-dione, 2-(2-methyl-2-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}propyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
| Molecular Formula | C23H27NO2S |
|---|---|
| Molecular Weight | 381.18 g/mol |
| LogP | 4.84876 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.17624 |
| Heavy Atoms | 27 |
| Complexity | 877.9965 |
Chemical Identifiers
| CAS Number | 338962-71-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CSC(C)(C)CN2C(=O)CC3=CC=CC=C3C2=O)C |
Product Overview
2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione (CAS 338962-71-3), with molecular formula C23H27NO2S and molecular weight 381.18 g/mol. IUPAC: 2-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione
Property Insights of 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione
The XLogP value of 4.84876 indicates that 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione has 0 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 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione?
The CAS number of 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione is 338962-71-3.
What is the molecular formula of 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione?
The molecular formula of 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione is C23H27NO2S.
What is the molecular weight of 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione?
The molecular weight of 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione is 381.18 g/mol.
Where can I buy 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione?
You can request a quote for 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[(mesitylmethyl)sulfanyl]-2-methylpropyl}-1,3(2H,4H)-isoquinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.