(2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸
TL;DR: (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸 (CAS 37904-03-3) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸
4-(4-methylanilino)-4-oxobut-2-enoic acid
Also Known As: 4-[(4-methylphenyl)amino]-4-oxobut-2-enoic acid, 4-oxo-4-(4-toluidino)but-2-enoic acid, 4-Oxo-4-(p-tolylamino)but-2-enoic acid, 4-(4-methylanilino)-4-oxobut-2-enoic acid, 4-(4-methylanilino)-4-oxo-but-2-enoic acid
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 37904-03-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C=CC(=O)O |
| InChIKey | VLWFSWMZGGZHGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸 (CAS 37904-03-3), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 4-(4-methylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸
Property Insights of (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸. Following Lipinski's Rule of Five, (2E)-4-氧代-4-(4-甲苯氨基)-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 (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸?
The CAS number of (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸 is 37904-03-3.
What is the molecular formula of (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸?
The molecular formula of (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸 is C11H11NO3.
What is the molecular weight of (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸?
The molecular weight of (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸 is 205.07 g/mol.
Where can I buy (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸?
You can request a quote for (2E)-4-氧代-4-(4-甲苯氨基)-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 (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-氧代-4-(4-甲苯氨基)-2-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.