![4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol structure](/static/products/579/579443-36-0.png)
4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol
TL;DR: 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol (CAS 579443-36-0) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)sulfanylbuta-2,3-dien-1-ol
Also Known As: 4-((4-nitrophenyl)thio)buta-2,3-dien-1-ol, 4-(4-nitrophenyl)sulfanylbuta-2,3-dien-1-ol, 4-[(4-nitrophenyl)sulfanyl]buta-2,3-dien-1-ol
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 2.348 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 393.63345 |
Chemical Identifiers
| CAS Number | 579443-36-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SC=C=CCO |
Product Overview
4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol (CAS 579443-36-0), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: 4-(4-nitrophenyl)sulfanylbuta-2,3-dien-1-ol.
Chemical Property Profile of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol
Property Insights of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol
The XLogP value of 2.348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol. Following Lipinski's Rule of Five, 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol 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 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol?
The CAS number of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol is 579443-36-0.
What is the molecular formula of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol?
The molecular formula of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol is C10H9NO3S.
What is the molecular weight of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol?
The molecular weight of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol is 223.03 g/mol.
Where can I buy 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol?
You can request a quote for 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.