![4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde structure](/static/products/5917/591760-46-2.webp)
4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde
TL;DR: 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde (CAS 591760-46-2) is a chemical compound with molecular formula C9H9NO4S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethylsulfanyl)-3-nitrobenzaldehyde
Also Known As: starbld0014144, 4-[(2-hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde, 4-((2-Hydroxyethyl)thio)-3-nitrobenzaldehyde, 4-(2-hydroxyethylsulfanyl)-3-nitrobenzaldehyde, 4-(2-hydroxyethylsulfanyl)-3-nitro-benzaldehyde
| Molecular Formula | C9H9NO4S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.4917 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.02522 |
| Heavy Atoms | 15 |
| Complexity | 380.37512 |
Chemical Identifiers
| CAS Number | 591760-46-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)[N+](=O)[O-])SCCO |
Product Overview
4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde (CAS 591760-46-2), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 4-(2-hydroxyethylsulfanyl)-3-nitrobenzaldehyde.
Chemical Property Profile of 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde
Property Insights of 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde
The XLogP value of 1.4917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde has 1 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 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde?
The CAS number of 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde is 591760-46-2.
What is the molecular formula of 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde?
The molecular formula of 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde is C9H9NO4S.
What is the molecular weight of 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde?
The molecular weight of 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde is 227.03 g/mol.
Where can I buy 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde?
You can request a quote for 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Hydroxyethyl)sulfanyl]-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.