TL;DR: ETHYL 2-(((2-(4-CHLORO-2-METHYLPHENOXY)ACETYLAMINO)AMINO)CARBONYLAMINO)-3-PHENYLPROPANOATE (CAS 1396988-90-1) is a chemical compound with molecular formula C21H24ClN3O5 and molecular weight 433.14044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamoylamino]-3-phenylpropanoate
Also Known As: ETHYL 2-(((2-(4-CHLORO-2-METHYLPHENOXY)ACETYLAMINO)AMINO)CARBONYLAMINO)-3-PHENYLPROPANOATE, ethyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamoylamino]-3-phenylpropanoate, ethyl 2-({N'-[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinecarbonyl}amino)-3-phenylpropanoate, Ethyl 2-[[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]carbamoylamino]-3-phenyl-propanoate, ethyl2-({N'-[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinecarbonyl}amino)-3-phenylpropanoate
| Molecular Formula | C21H24ClN3O5 |
| Molecular Weight | 433.14044 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.14044 Da |
| Heavy Atoms | 30 |
| Complexity | 571.0 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)NC(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)C |
| InChIKey | PBEIORVWBNTFNQ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that ETHYL 2-(((2-(4-CHLORO-2-METHYLPHENOXY)ACETYLAMINO)AMINO)CARBONYLAMINO)-3-PHENYLPROPANOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 2-(((2-(4-CHLORO-2-METHYLPHENOXY)ACETYLAMINO)AMINO)CARBONYLAMINO)-3-PHENYLPROPANOATE. Following Lipinski's Rule of Five, ETHYL 2-(((2-(4-CHLORO-2-METHYLPHENOXY)ACETYLAMINO)AMINO)CARBONYLAMINO)-3-PHENYLPROPANOATE has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ETHYL 2-(((2-(4-CHLORO-2-METHYLPHENOXY)ACETYLAMINO)AMINO)CARBONYLAMINO)-3-PHENYLPROPANOATE is 1396988-90-1.
The molecular formula of ETHYL 2-(((2-(4-CHLORO-2-METHYLPHENOXY)ACETYLAMINO)AMINO)CARBONYLAMINO)-3-PHENYLPROPANOATE is C21H24ClN3O5.
The molecular weight of ETHYL 2-(((2-(4-CHLORO-2-METHYLPHENOXY)ACETYLAMINO)AMINO)CARBONYLAMINO)-3-PHENYLPROPANOATE is 433.14044 g/mol.
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