TL;DR: RefChem:331712 (CAS 86627-68-1) is a chemical compound with molecular formula C24H39NO4S and molecular weight 437.25998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-dodecoxysulfanyl-N-methylcarbamate
Also Known As: Carbamic acid, ((dodecyloxy)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (dodecyloxysulfenyl)(methyl)carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-dodecoxysulfanyl-N-methylcarbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl [(dodecyloxy)sulfanyl](methyl)carbamate
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C24H39NO4S |
| Molecular Weight | 437.25998 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 73.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 437.25998 Da |
| Heavy Atoms | 30 |
| Complexity | 488.0 |
| SMILES | CCCCCCCCCCCCOSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| InChIKey | QNVUOANWQREUEJ-UHFFFAOYSA-N |
The XLogP value of 8.6 indicates that RefChem:331712 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331712. Following Lipinski's Rule of Five, RefChem:331712 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:331712 is 86627-68-1.
The molecular formula of RefChem:331712 is C24H39NO4S.
The molecular weight of RefChem:331712 is 437.25998 g/mol.
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