TL;DR: 10,11-Dihydrodibenzo[b,f]oxepine-1,3-diamine dihydrochloride (CAS 1051369-20-0) is a chemical compound with molecular formula C14H16Cl2N2O and molecular weight 298.06396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dihydrobenzo[b][1]benzoxepine-2,4-diamine;dihydrochloride
Also Known As: 10,11-dihydrodibenzo[b,f]oxepine-1,3-diamine dihydrochloride, 5,6-dihydrobenzo[b][1]benzoxepine-2,4-diamine;dihydrochloride, 10,11-Dihydrodibenzob,foxepine-1,3-diamine dihydrochloride, 10,11-dihydrodibenzo[b,f]oxepine-1,3-diaminedihydrochloride, 5,6-dihydrobenzo[b][1]benzoxepine-2,4-diamine dihydrochloride
| Molecular Formula | C14H16Cl2N2O |
| Molecular Weight | 298.06396 g/mol |
| XLogP | 3.5855 |
| Topological Polar Surface Area (TPSA) | 61.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.06396 Da |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
| SMILES | C1CC2=C(C=C(C=C2OC3=CC=CC=C31)N)N.Cl.Cl |
| InChIKey | GPELOEZZAOHIKD-UHFFFAOYSA-N |
The XLogP value of 3.5855 indicates that 10,11-Dihydrodibenzo[b,f]oxepine-1,3-diamine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 10,11-Dihydrodibenzo[b,f]oxepine-1,3-diamine dihydrochloride. Following Lipinski's Rule of Five, 10,11-Dihydrodibenzo[b,f]oxepine-1,3-diamine dihydrochloride has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 10,11-Dihydrodibenzo[b,f]oxepine-1,3-diamine dihydrochloride is 1051369-20-0.
The molecular formula of 10,11-Dihydrodibenzo[b,f]oxepine-1,3-diamine dihydrochloride is C14H16Cl2N2O.
The molecular weight of 10,11-Dihydrodibenzo[b,f]oxepine-1,3-diamine dihydrochloride is 298.06396 g/mol.
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