![3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid structure](/static/products/1207/1207172-73-3.webp)
3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid
TL;DR: 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid (CAS 1207172-73-3) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
Also Known As: Maybridge3_005800, 4-[(4-methoxybenzyl)amino]-4-oxo-2-butenoic acid, 3-{[(4-METHOXYPHENYL)METHYL]CARBAMOYL}PROP-2-ENOIC ACID, 4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid, (2E)-3-{[(4-METHOXYPHENYL)METHYL]CARBAMOYL}PROP-2-ENOIC ACID
Technical Specifications
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.08446 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08446 Da |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
| SMILES | COC1=CC=C(C=C1)CNC(=O)C=CC(=O)O |
| InChIKey | WPUCZNLYVFBPAH-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid
Property Insights of 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid. Following Lipinski's Rule of Five, 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid 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
What is the CAS number of 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid?
The CAS number of 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid is 1207172-73-3.
What is the molecular formula of 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid?
The molecular formula of 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid is C12H13NO4.
What is the molecular weight of 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid?
The molecular weight of 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid is 235.08446 g/mol.
Where can I buy 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid?
You can request a quote for 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-{[(4-Methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.