TL;DR: 1,3-Butadiene, 1,2,3,4-tetrachloro- (CAS 1637-31-6) is a chemical compound with molecular formula C4H2Cl4 and molecular weight 189.89107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4-tetrachlorobuta-1,3-diene
Also Known As: 1,3-Butadiene, 1,2,3,4-tetrachloro-, 1,2,3,4-Tetrachloro-1,3-butadiene, 1,2,3,4-TETRACHLOROBUTA-1,3-DIENE
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H2Cl4 |
| Molecular Weight | 189.89107 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.8881 Da |
| Heavy Atoms | 8 |
| Complexity | 108.0 |
| SMILES | C(=C(C(=CCl)Cl)Cl)Cl |
| InChIKey | RLWBAEORPSFLTH-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1,3-Butadiene, 1,2,3,4-tetrachloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Butadiene, 1,2,3,4-tetrachloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadiene, 1,2,3,4-tetrachloro- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Butadiene, 1,2,3,4-tetrachloro- is 1637-31-6.
The molecular formula of 1,3-Butadiene, 1,2,3,4-tetrachloro- is C4H2Cl4.
The molecular weight of 1,3-Butadiene, 1,2,3,4-tetrachloro- is 189.89107 g/mol.
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