TL;DR: Carbanilic acid, 2,6-dichloro-4-(pentyloxy)-, 2-(diethylamino)ethyl ester (CAS 15483-06-4) is a chemical compound with molecular formula C18H28Cl2N2O3 and molecular weight 390.1477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl N-(2,6-dichloro-4-pentoxyphenyl)carbamate
Also Known As: K 914, 2-(Diethylamino)ethyl 2,6-dichloro-4-(pentyloxy)carbanilate, CARBANILIC ACID, 2,6-DICHLORO-4-(PENTYLOXY)-, 2-(DIETHYLAMINO)ETHYL ESTER, 2,6-Dichloro-4-(pentyloxy)carbanilic acid 2-(diethylamino)ethyl ester, 2-diethylaminoethyl N-(2,6-dichloro-4-pentoxyphenyl)carbamate
| Molecular Formula | C18H28Cl2N2O3 |
| Molecular Weight | 390.1477 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 390.1477 Da |
| Heavy Atoms | 25 |
| Complexity | 358.0 |
| SMILES | CCCCCOC1=CC(=C(C(=C1)Cl)NC(=O)OCCN(CC)CC)Cl |
| InChIKey | XRGFPKQDDJQBBX-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that Carbanilic acid, 2,6-dichloro-4-(pentyloxy)-, 2-(diethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Carbanilic acid, 2,6-dichloro-4-(pentyloxy)-, 2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2,6-dichloro-4-(pentyloxy)-, 2-(diethylamino)ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbanilic acid, 2,6-dichloro-4-(pentyloxy)-, 2-(diethylamino)ethyl ester is 15483-06-4.
The molecular formula of Carbanilic acid, 2,6-dichloro-4-(pentyloxy)-, 2-(diethylamino)ethyl ester is C18H28Cl2N2O3.
The molecular weight of Carbanilic acid, 2,6-dichloro-4-(pentyloxy)-, 2-(diethylamino)ethyl ester is 390.1477 g/mol.
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