5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 862116-29-8) is a chemical compound with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(2-benzyl-3-oxoisoindolin-1-yl)-1-butyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione, 5-(2-Benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-1-butyl-2-thioxo-dihydro-pyrimidine-4,6-dione
| Molecular Formula | C23H23N3O3S |
|---|---|
| Molecular Weight | 421.15 g/mol |
| LogP | 3.0433 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.14603 |
| Heavy Atoms | 30 |
| Complexity | 1007.76276 |
Chemical Identifiers
| CAS Number | 862116-29-8 |
|---|---|
| SMILES | CCCCN1C(=O)C(C(=O)NC1=S)C2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 |
Product Overview
5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 862116-29-8), with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol. IUPAC: 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.0433 indicates that 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione has 1 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-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 862116-29-8.
What is the molecular formula of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C23H23N3O3S.
What is the molecular weight of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 421.15 g/mol.
Where can I buy 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.