![4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸 structure](/static/products/5008/500896-59-3.webp)
4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸
TL;DR: 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸 (CAS 500896-59-3) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸
4-[2-(methylcarbamoyl)anilino]-4-oxobutanoic acid
Also Known As: 4-[2-(methylcarbamoyl)anilino]-4-oxobutanoic acid, 4-{2-[(methylamino)carbonyl]anilino}-4-oxobutanoic acid, AN-329/43385389, 4-{[2-(methylcarbamoyl)phenyl]amino}-4-oxobutanoic acid, 3-{N-[2-(N-methylcarbamoyl)phenyl]carbamoyl}propanoic acid
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 500896-59-3 |
|---|---|
| SMILES | CNC(=O)C1=CC=CC=C1NC(=O)CCC(=O)O |
| InChIKey | JPDKXUJGAHNPTE-UHFFFAOYSA-N |
Product Overview
4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸 (CAS 500896-59-3), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: 4-[2-(methylcarbamoyl)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸
Property Insights of 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸. Following Lipinski's Rule of Five, 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸 has 3 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-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸?
The CAS number of 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸 is 500896-59-3.
What is the molecular formula of 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸?
The molecular formula of 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸 is C12H14N2O4.
What is the molecular weight of 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸?
The molecular weight of 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸 is 250.10 g/mol.
Where can I buy 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸?
You can request a quote for 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(甲基氨基甲酰基)苯氨基]-4-氧代丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.