![4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸 structure](/static/products/3008/300829-90-7.webp)
4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸
TL;DR: 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸 (CAS 300829-90-7) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸
4-[4-(dimethylamino)anilino]-4-oxobut-2-enoic acid
Also Known As: NCIOpen2_003029, 4-[4-(dimethylamino)anilino]-4-oxobut-2-enoic acid, 4-((4-(Dimethylamino)phenyl)amino)-4-oxobut-2-enoic acid, 4-{[4-(dimethylamino)phenyl]amino}-4-oxobut-2-enoic acid
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 300829-90-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)C=CC(=O)O |
| InChIKey | YVQGKOJJBOYTDX-UHFFFAOYSA-N |
Product Overview
4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸 (CAS 300829-90-7), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: 4-[4-(dimethylamino)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸
Property Insights of 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸. Following Lipinski's Rule of Five, 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸 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 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸?
The CAS number of 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸 is 300829-90-7.
What is the molecular formula of 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸?
The molecular formula of 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸 is C12H14N2O3.
What is the molecular weight of 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸?
The molecular weight of 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸 is 234.10 g/mol.
Where can I buy 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸?
You can request a quote for 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-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-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(二甲氨基)苯氨基]-4-氧代丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.