![Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate structure](/static/products/1214/1214131-47-1.webp)
Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate
TL;DR: Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate (CAS 1214131-47-1) is a chemical compound with molecular formula C14H19ClN2O3 and molecular weight 298.10843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(4-chlorophenyl)carbamoylamino]-3,3-dimethylbutanoate
Also Known As: methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate, 4N-008, methyl 2-[(4-chlorophenyl)carbamoylamino]-3,3-dimethylbutanoate, methyl 2-{[(4-chlorophenyl)carbamoyl]amino}-3,3-dimethylbutanoate, methyl2-{[(4-chlorophenyl)carbamoyl]amino}-3,3-dimethylbutanoate
Technical Specifications
| Molecular Formula | C14H19ClN2O3 |
| Molecular Weight | 298.10843 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.10843 Da |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
| SMILES | CC(C)(C)C(C(=O)OC)NC(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | KFZTZTFPGASVSR-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate
Property Insights of Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate
The XLogP value of 3.2 indicates that Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate. Following Lipinski's Rule of Five, Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate 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
What is the CAS number of Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate?
The CAS number of Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate is 1214131-47-1.
What is the molecular formula of Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate?
The molecular formula of Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate is C14H19ClN2O3.
What is the molecular weight of Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate?
The molecular weight of Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate is 298.10843 g/mol.
Where can I buy Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate?
You can request a quote for Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-{[(4-chloroanilino)carbonyl]amino}-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.