(2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid
TL;DR: (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid (CAS 307941-87-3) is a chemical compound with molecular formula C10H15NO3 and molecular weight 197.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-4-oxobut-2-enoic acid
Also Known As: 4-(azepan-1-yl)-4-oxobut-2-enoic acid, 4-(1-azepanyl)-4-oxo-2-butenoic acid, 4-(azepan-1-yl)-4-oxo-but-2-enoic Acid, (2E)-4-AZEPAN-1-YL-4-OXOBUT-2-ENOIC ACID, (2E)-4-(AZEPAN-1-YL)-4-OXOBUT-2-ENOIC ACID
| Molecular Formula | C10H15NO3 |
|---|---|
| Molecular Weight | 197.11 g/mol |
| LogP | 1.0298 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.1052 |
| Heavy Atoms | 14 |
| Complexity | 239.75166 |
Chemical Identifiers
| CAS Number | 307941-87-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C=CC(=O)O |
Product Overview
(2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid (CAS 307941-87-3), with molecular formula C10H15NO3 and molecular weight 197.11 g/mol. IUPAC: 4-(azepan-1-yl)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid
Property Insights of (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid
The XLogP value of 1.0298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid has 1 hydrogen bond donor(s) and 2 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 (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid is 307941-87-3.
What is the molecular formula of (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid is C10H15NO3.
What is the molecular weight of (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid is 197.11 g/mol.
Where can I buy (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-(Azepan-1-YL)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.