![4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate structure](/static/products/586/586334-06-7.png)
4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate
TL;DR: 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate (CAS 586334-06-7) is a chemical compound with molecular formula C18H15NO4S and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-methylbenzoate
Also Known As: 4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-methylbenzoate, 4-[(4-nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate
| Molecular Formula | C18H15NO4S |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 3.85572 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.07217 |
| Heavy Atoms | 24 |
| Complexity | 773.4063 |
Chemical Identifiers
| CAS Number | 586334-06-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC#CCSC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate (CAS 586334-06-7), with molecular formula C18H15NO4S and molecular weight 341.07 g/mol. IUPAC: 4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-methylbenzoate.
Chemical Property Profile of 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate
Property Insights of 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate
The XLogP value of 3.85572 indicates that 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate. Following Lipinski's Rule of Five, 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate 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 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate?
The CAS number of 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate is 586334-06-7.
What is the molecular formula of 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate?
The molecular formula of 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate is C18H15NO4S.
What is the molecular weight of 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate?
The molecular weight of 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate is 341.07 g/mol.
Where can I buy 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate?
You can request a quote for 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate 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]but-2-yn-1-yl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Nitrophenyl)sulfanyl]but-2-yn-1-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.