TL;DR: Carbamic acid, methyl-, m-((2-propynyloxy)methoxy)phenyl ester (CAS 18278-43-8) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(prop-2-ynoxymethoxy)phenyl] N-methylcarbamate
Also Known As: Hercules 9908, starbld0048179, [3-(prop-2-ynoxymethoxy)phenyl] N-methylcarbamate, CARBAMIC ACID, METHYL-, m-((2-PROPYNYLOXY)METHOXY)PHENYL ESTER, m-((2-Propynyloxy)methoxy)phenyl methylcarbamate
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.08446 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.08446 Da |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
| SMILES | CNC(=O)OC1=CC=CC(=C1)OCOCC#C |
| InChIKey | RZSKBLLMNZPTPM-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl-, m-((2-propynyloxy)methoxy)phenyl ester. With a topological polar surface area (TPSA) of 56.8 Ų, Carbamic acid, methyl-, m-((2-propynyloxy)methoxy)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, m-((2-propynyloxy)methoxy)phenyl 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, methyl-, m-((2-propynyloxy)methoxy)phenyl ester is 18278-43-8.
The molecular formula of Carbamic acid, methyl-, m-((2-propynyloxy)methoxy)phenyl ester is C12H13NO4.
The molecular weight of Carbamic acid, methyl-, m-((2-propynyloxy)methoxy)phenyl ester is 235.08446 g/mol.
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