![3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸 structure](/static/products/5361/53616-19-6.webp)
3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸
TL;DR: 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸 (CAS 53616-19-6) 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.
3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸
4-(2-methylanilino)-4-oxobut-2-enoic acid
Also Known As: 3-[(2-methylphenyl)carbamoyl]prop-2-enoic acid, 4-(2-methylanilino)-4-oxobut-2-enoic acid, 4-(2-methylanilino)-4-oxo-but-2-enoic acid, (Z)-4-oxo-4-(o-tolylamino)but-2-enoic acid, 4-[(2-methylphenyl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 0.6 |
| 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 | 273.0 |
Chemical Identifiers
| CAS Number | 53616-19-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C=CC(=O)O |
| InChIKey | RGFQVACBIDGKBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸 (CAS 53616-19-6), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 4-(2-methylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸
Property Insights of 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸. Following Lipinski's Rule of Five, 3-[(2-甲基苯基)氨基甲酰基]丙-2-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 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸?
The CAS number of 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸 is 53616-19-6.
What is the molecular formula of 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸?
The molecular formula of 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸 is C11H11NO3.
What is the molecular weight of 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸?
The molecular weight of 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸 is 205.07 g/mol.
Where can I buy 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸?
You can request a quote for 3-[(2-甲基苯基)氨基甲酰基]丙-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 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-甲基苯基)氨基甲酰基]丙-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.