TL;DR: Propane-1,2,3-triol--2-(chloromethyl)oxirane (1/1) (CAS 25038-04-4) is a chemical compound with molecular formula C6H13ClO4 and molecular weight 184.05023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(chloromethyl)oxirane;propane-1,2,3-triol
Also Known As: Glycerin epichlorohydrin, Epichlorohydrin-glycerine copolymer, 2-(chloromethyl)oxirane; glycerol, LX 112, 1,2,3-Propanetriol, polymer with (chloromethyl)oxirane
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H13ClO4 |
| Molecular Weight | 184.05023 g/mol |
| XLogP | -1.04 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.05023 Da |
| Heavy Atoms | 11 |
| Complexity | 63.0 |
| SMILES | C1C(O1)CCl.C(C(CO)O)O |
| InChIKey | UQDDVIGJWPTDNJ-UHFFFAOYSA-N |
The XLogP value of -1.04 indicates that Propane-1,2,3-triol--2-(chloromethyl)oxirane (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Propane-1,2,3-triol--2-(chloromethyl)oxirane (1/1). Following Lipinski's Rule of Five, Propane-1,2,3-triol--2-(chloromethyl)oxirane (1/1) has 3 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 Propane-1,2,3-triol--2-(chloromethyl)oxirane (1/1) is 25038-04-4.
The molecular formula of Propane-1,2,3-triol--2-(chloromethyl)oxirane (1/1) is C6H13ClO4.
The molecular weight of Propane-1,2,3-triol--2-(chloromethyl)oxirane (1/1) is 184.05023 g/mol.
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