![3-[(2-Nitrophenyl)thio]-2,4-pentanedione structure](/static/products/228/22805-28-3.png)
3-[(2-Nitrophenyl)thio]-2,4-pentanedione
TL;DR: 3-[(2-Nitrophenyl)thio]-2,4-pentanedione (CAS 22805-28-3) is a chemical compound with molecular formula C11H11NO4S and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitrophenyl)sulfanylpentane-2,4-dione
Also Known As: 3-(2-nitro-phenylsulfanyl)-pentane-2,4-dione, BIM-0013128.P001, 3-[(2-nitrophenyl)thio]-2,4-pentanedione, 3-[(2-Nitrophenyl)thio]pentane-2,4-dione, 3-(2-nitrophenyl)sulfanylpentane-2,4-dione
| Molecular Formula | C11H11NO4S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.04088 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 22805-28-3 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | PEOWJYFDVGGZAJ-UHFFFAOYSA-N |
Product Overview
3-[(2-Nitrophenyl)thio]-2,4-pentanedione (CAS 22805-28-3), with molecular formula C11H11NO4S and molecular weight 253.04 g/mol. IUPAC: 3-(2-nitrophenyl)sulfanylpentane-2,4-dione.
Chemical Property Profile of 3-[(2-Nitrophenyl)thio]-2,4-pentanedione
Property Insights of 3-[(2-Nitrophenyl)thio]-2,4-pentanedione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Nitrophenyl)thio]-2,4-pentanedione. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Nitrophenyl)thio]-2,4-pentanedione. Following Lipinski's Rule of Five, 3-[(2-Nitrophenyl)thio]-2,4-pentanedione has 0 hydrogen bond donor(s) and 5 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 3-[(2-Nitrophenyl)thio]-2,4-pentanedione?
The CAS number of 3-[(2-Nitrophenyl)thio]-2,4-pentanedione is 22805-28-3.
What is the molecular formula of 3-[(2-Nitrophenyl)thio]-2,4-pentanedione?
The molecular formula of 3-[(2-Nitrophenyl)thio]-2,4-pentanedione is C11H11NO4S.
What is the molecular weight of 3-[(2-Nitrophenyl)thio]-2,4-pentanedione?
The molecular weight of 3-[(2-Nitrophenyl)thio]-2,4-pentanedione is 253.04 g/mol.
Where can I buy 3-[(2-Nitrophenyl)thio]-2,4-pentanedione?
You can request a quote for 3-[(2-Nitrophenyl)thio]-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Nitrophenyl)thio]-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Nitrophenyl)thio]-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.