(2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸
TL;DR: (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸 (CAS 57687-94-2) is a chemical compound with molecular formula C6H9NO3 and molecular weight 143.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸
4-(dimethylamino)-4-oxobut-2-enoic acid
Also Known As: 4-(dimethylamino)-4-oxobut-2-enoic acid, N,N-Dimethylmaleinsaeuremonoamid, 3-(dimethylcarbamoyl)prop-2-enoic Acid, 2-Butenoic acid, 4-(dimethylamino)-4-oxo-, (2Z)-, 4-(Dimethylamino)-4-oxo-2-butenoic acid
| Molecular Formula | C6H9NO3 |
|---|---|
| Molecular Weight | 143.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.05824 |
| Heavy Atoms | 10 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 57687-94-2 |
|---|---|
| SMILES | CN(C)C(=O)C=CC(=O)O |
| InChIKey | UWVCKXVPDINNHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸 (CAS 57687-94-2), with molecular formula C6H9NO3 and molecular weight 143.06 g/mol. IUPAC: 4-(dimethylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸
Property Insights of (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸
The XLogP value of -0.5 indicates that (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.6 Ų, (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸 has 1 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 (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸?
The CAS number of (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸 is 57687-94-2.
What is the molecular formula of (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸?
The molecular formula of (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸 is C6H9NO3.
What is the molecular weight of (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸?
The molecular weight of (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸 is 143.06 g/mol.
Where can I buy (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸?
You can request a quote for (2Z)-4-(二甲氨基)-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 (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-4-(二甲氨基)-4-氧代丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.