(E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸
TL;DR: (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸 (CAS 1161742-66-0) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸
4-(2-hydroxyanilino)-4-oxobut-2-enoic acid
Also Known As: NCIOpen2_004314, 4-(2-Hydroxyanilino)-4-oxo-2-butenoic acid, 4-(2-hydroxyanilino)-4-oxobut-2-enoic acid, (E)-4-(2-Hydroxyanilino)-4-oxo-2-butenoic acid, 3-[(2-HYDROXYPHENYL)CARBAMOYL]PROP-2-ENOIC ACID
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 1161742-66-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C=CC(=O)O)O |
| InChIKey | HCNVCDRKIVGJOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸 (CAS 1161742-66-0), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 4-(2-hydroxyanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸
Property Insights of (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸. Following Lipinski's Rule of Five, (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸 has 3 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-(2-羟基苯氨基)-4-氧代-2-丁烯酸?
The CAS number of (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸 is 1161742-66-0.
What is the molecular formula of (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸?
The molecular formula of (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸 is C10H9NO4.
What is the molecular weight of (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸?
The molecular weight of (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸 is 207.05 g/mol.
Where can I buy (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸?
You can request a quote for (E)-4-(2-羟基苯氨基)-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 (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-羟基苯氨基)-4-氧代-2-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.