![(E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid structure](/static/products/3142/314284-80-5.webp)
(E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid
TL;DR: (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid (CAS 314284-80-5) is a chemical compound with molecular formula C16H20N2O5S and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoic acid
Also Known As: BAS 01110284, 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoic acid, (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid, 4-{[4-(1-azepanylsulfonyl)phenyl]amino}-4-oxo-2-butenoic acid, (2E)-3-{[4-(AZEPANE-1-SULFONYL)PHENYL]CARBAMOYL}PROP-2-ENOIC ACID
| Molecular Formula | C16H20N2O5S |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 1.8306 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.10928 |
| Heavy Atoms | 24 |
| Complexity | 717.3396 |
Chemical Identifiers
| CAS Number | 314284-80-5 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O |
Product Overview
(E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid (CAS 314284-80-5), with molecular formula C16H20N2O5S and molecular weight 352.11 g/mol. IUPAC: 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid
Property Insights of (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid
The XLogP value of 1.8306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid has 2 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 (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid?
The CAS number of (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid is 314284-80-5.
What is the molecular formula of (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid?
The molecular formula of (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid is C16H20N2O5S.
What is the molecular weight of (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid?
The molecular weight of (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid is 352.11 g/mol.
Where can I buy (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid?
You can request a quote for (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[4-(1-Azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.