TL;DR: (2H10)-o-Xylene (CAS 56004-61-6) is a chemical compound with molecular formula C8H10 and molecular weight 116.141014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4-tetradeuterio-5,6-bis(trideuteriomethyl)benzene
Also Known As: o-Xylene-d10, (2H10)-o-Xylene, o-Methyltoluene, o-Xylene D10, o-Xylene-d??
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H10 |
| Molecular Weight | 116.141014 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.141014 Da |
| Heavy Atoms | 8 |
| Complexity | 56.0 |
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H] |
| InChIKey | CTQNGGLPUBDAKN-ZGYYUIRESA-N |
The XLogP value of 3.1 indicates that (2H10)-o-Xylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (2H10)-o-Xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2H10)-o-Xylene 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 (2H10)-o-Xylene is 56004-61-6.
The molecular formula of (2H10)-o-Xylene is C8H10.
The molecular weight of (2H10)-o-Xylene is 116.141014 g/mol.
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