4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸
TL;DR: 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸 (CAS 94201-97-5) is a chemical compound with molecular formula C13H14O6 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸
4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid
Also Known As: Baxitozine, 4-Oxo-4-(3,4,5-trimethoxyphenyl)-2-butenoic acid, 4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 94201-97-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)C=CC(=O)O |
| InChIKey | PVCWLTQMJSUKGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸 (CAS 94201-97-5), with molecular formula C13H14O6 and molecular weight 266.08 g/mol. IUPAC: 4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid.
Chemical Property Profile of 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸
Property Insights of 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸. Following Lipinski's Rule of Five, 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸 has 1 hydrogen bond donor(s) and 6 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-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸?
The CAS number of 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸 is 94201-97-5.
What is the molecular formula of 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸?
The molecular formula of 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸 is C13H14O6.
What is the molecular weight of 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸?
The molecular weight of 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸 is 266.08 g/mol.
Where can I buy 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸?
You can request a quote for 4-氧代-4-(3,4,5-三甲氧基苯基)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-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代-4-(3,4,5-三甲氧基苯基)丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.