![4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸 structure](/static/products/6332/63320-87-6.webp)
4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸
TL;DR: 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸 (CAS 63320-87-6) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸
4-(2,6-diethylanilino)-4-oxobut-2-enoic acid
Also Known As: Maybridge3_005901, 4-(2,6-diethylanilino)-4-oxobut-2-enoic acid, (4-chloro-1H-pyrazol-1-yl)acetonitrile, N-(2,6-DIETHYLPHENYL)MALEAMIC ACID, 4-[(2,6-Diethylphenyl)amino]-4-oxo-2-butenoic acid
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 63320-87-6 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)C=CC(=O)O |
| InChIKey | HPUZNWHASPOJPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸 (CAS 63320-87-6), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 4-(2,6-diethylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸
Property Insights of 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸. Following Lipinski's Rule of Five, 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸 has 2 hydrogen bond donor(s) and 3 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-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸?
The CAS number of 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸 is 63320-87-6.
What is the molecular formula of 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸?
The molecular formula of 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸 is C14H17NO3.
What is the molecular weight of 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸?
The molecular weight of 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸 is 247.12 g/mol.
Where can I buy 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸?
You can request a quote for 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,6-二乙基苯基)氨基]-4-氧代-2-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.