Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate
TL;DR: Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate (CAS 325984-90-5) is a chemical compound with molecular formula C15H19NO4S and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
Also Known As: VU0494106-1, F0914-1874, butyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate, butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate
| Molecular Formula | C15H19NO4S |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 2.3661 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.1035 |
| Heavy Atoms | 21 |
| Complexity | 619.5786 |
Chemical Identifiers
| CAS Number | 325984-90-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2CS(=O)(=O)C=C2 |
Product Overview
Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate (CAS 325984-90-5), with molecular formula C15H19NO4S and molecular weight 309.10 g/mol. IUPAC: butyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate.
Chemical Property Profile of Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate
Property Insights of Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate
The XLogP value of 2.3661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate. Following Lipinski's Rule of Five, Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate 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 Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate?
The CAS number of Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate is 325984-90-5.
What is the molecular formula of Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate?
The molecular formula of Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate is C15H19NO4S.
What is the molecular weight of Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate?
The molecular weight of Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate is 309.10 g/mol.
Where can I buy Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate?
You can request a quote for Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-((1,1-dioxido-2,3-dihydrothiophen-3-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.