![2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide structure](/static/products/3696/369606-57-5.webp)
2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide
TL;DR: 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide (CAS 369606-57-5) is a chemical compound with molecular formula C18H23N3O6S and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide
Also Known As: 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide, 2-(5-(butoxymethyl)-2-oxotetrahydrofuran-3-yl)-N-((4-nitrophenyl)carbamothioyl)acetamide, 2-[5-(butoxymethyl)-2-oxotetrahydrofuran-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide (non-preferred name)
| Molecular Formula | C18H23N3O6S |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 2.5463 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.13077 |
| Heavy Atoms | 28 |
| Complexity | 724.5361 |
Chemical Identifiers
| CAS Number | 369606-57-5 |
|---|---|
| SMILES | CCCCOCC1CC(C(=O)O1)CC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide (CAS 369606-57-5), with molecular formula C18H23N3O6S and molecular weight 409.13 g/mol. IUPAC: 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide.
Chemical Property Profile of 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide
Property Insights of 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide
The XLogP value of 2.5463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide. Following Lipinski's Rule of Five, 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide has 2 hydrogen bond donor(s) and 7 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-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide?
The CAS number of 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide is 369606-57-5.
What is the molecular formula of 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide?
The molecular formula of 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide is C18H23N3O6S.
What is the molecular weight of 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide?
The molecular weight of 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide is 409.13 g/mol.
Where can I buy 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide?
You can request a quote for 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.