TL;DR: 2H-1-Benzopyran, 3,4-dichloro-7-methoxy-2,2,8-trimethyl- (CAS 108354-05-8) is a chemical compound with molecular formula C13H14Cl2O2 and molecular weight 272.03708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dichloro-7-methoxy-2,2,8-trimethylchromene
Also Known As: 2H-1-Benzopyran, 3,4-dichloro-7-methoxy-2,2,8-trimethyl-, 3,4-dichloro-7-methoxy-2,2,8-trimethylchromene, 3,4-Dichloro-7-methoxy-2,2,8-trimethyl-2H-1-benzopyran
| Molecular Formula | C13H14Cl2O2 |
| Molecular Weight | 272.03708 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.03708 Da |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
| SMILES | CC1=C(C=CC2=C1OC(C(=C2Cl)Cl)(C)C)OC |
| InChIKey | PQRDDACADOCHRT-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 2H-1-Benzopyran, 3,4-dichloro-7-methoxy-2,2,8-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 2H-1-Benzopyran, 3,4-dichloro-7-methoxy-2,2,8-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran, 3,4-dichloro-7-methoxy-2,2,8-trimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-1-Benzopyran, 3,4-dichloro-7-methoxy-2,2,8-trimethyl- is 108354-05-8.
The molecular formula of 2H-1-Benzopyran, 3,4-dichloro-7-methoxy-2,2,8-trimethyl- is C13H14Cl2O2.
The molecular weight of 2H-1-Benzopyran, 3,4-dichloro-7-methoxy-2,2,8-trimethyl- is 272.03708 g/mol.
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