TL;DR: Carbamic acid, [2-(acetyloxy)-5-chlorophenyl]-, 1-methylethyl ester (CAS 34061-88-6) is a chemical compound with molecular formula C12H14ClNO4 and molecular weight 271.06113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-chloro-2-(propan-2-yloxycarbonylamino)phenyl] acetate
Also Known As: Isopropyl-2-acetoxy-5-chlor-carbanilat, [2-5-chlorophenyl]carbamicacid1-methylethylester, [2- -5-chlorophenyl]carbamicacid1-methylethylester, Carbanilic acid, 5-chloro-2-hydroxy-, isopropyl ester, acetate (ester), 4-Chloro-2-[(isopropoxycarbonyl)amino]phenyl acetate #
| Molecular Formula | C12H14ClNO4 |
| Molecular Weight | 271.06113 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.06113 Da |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
| SMILES | CC(C)OC(=O)NC1=C(C=CC(=C1)Cl)OC(=O)C |
| InChIKey | DARLZSPMNAEYSC-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, [2-(acetyloxy)-5-chlorophenyl]-, 1-methylethyl ester. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, [2-(acetyloxy)-5-chlorophenyl]-, 1-methylethyl ester. Following Lipinski's Rule of Five, Carbamic acid, [2-(acetyloxy)-5-chlorophenyl]-, 1-methylethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbamic acid, [2-(acetyloxy)-5-chlorophenyl]-, 1-methylethyl ester is 34061-88-6.
The molecular formula of Carbamic acid, [2-(acetyloxy)-5-chlorophenyl]-, 1-methylethyl ester is C12H14ClNO4.
The molecular weight of Carbamic acid, [2-(acetyloxy)-5-chlorophenyl]-, 1-methylethyl ester is 271.06113 g/mol.
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