TL;DR: Carbamic acid, N,N-dihexyl-, 3-tert-butylphenyl ester (CAS 28460-14-2) is a chemical compound with molecular formula C23H39NO2 and molecular weight 361.29807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-tert-butylphenyl) N,N-dihexylcarbamate
Also Known As: Phenol, 3-tert-butyl-, dihexylcarbamate, R 948, 3-tert-Butylphenyl dihexylcarbamate, N,N-Dihexylcarbamic acid 3-tert-butylphenyl ester, CARBAMIC ACID, N,N-DIHEXYL-, 3-tert-BUTYLPHENYL ESTER
| Molecular Formula | C23H39NO2 |
| Molecular Weight | 361.29807 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 361.29807 Da |
| Heavy Atoms | 26 |
| Complexity | 363.0 |
| SMILES | CCCCCCN(CCCCCC)C(=O)OC1=CC=CC(=C1)C(C)(C)C |
| InChIKey | DQNZWMRPRVZFCM-UHFFFAOYSA-N |
The XLogP value of 8.0 indicates that Carbamic acid, N,N-dihexyl-, 3-tert-butylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Carbamic acid, N,N-dihexyl-, 3-tert-butylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N,N-dihexyl-, 3-tert-butylphenyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbamic acid, N,N-dihexyl-, 3-tert-butylphenyl ester is 28460-14-2.
The molecular formula of Carbamic acid, N,N-dihexyl-, 3-tert-butylphenyl ester is C23H39NO2.
The molecular weight of Carbamic acid, N,N-dihexyl-, 3-tert-butylphenyl ester is 361.29807 g/mol.
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