TL;DR: 2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl- (CAS 113035-24-8) is a chemical compound with molecular formula C12H17N3 and molecular weight 203.14224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,1-N,3-N,3-N,5-pentamethylcyclopenta[c]pyrrole-1,3-diamine
Also Known As: 2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl-, 1-N,1-N,3-N,3-N,5-pentamethylcyclopenta[c]pyrrole-1,3-diamine, 2-Azapentalene,1,3-bis(dimethylamino)-5-methyl, N~1~,N~1~,N~3~,N~3~,5-Pentamethylcyclopenta[c]pyrrole-1,3-diamine
| Molecular Formula | C12H17N3 |
| Molecular Weight | 203.14224 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.14224 Da |
| Heavy Atoms | 15 |
| Complexity | 383.0 |
| SMILES | CC1=CC2=C(N=C(C2=C1)N(C)C)N(C)C |
| InChIKey | XMFUWMDSGNYFFY-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl-. With a topological polar surface area (TPSA) of 18.8 Ų, 2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl- 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 2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl- is 113035-24-8.
The molecular formula of 2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl- is C12H17N3.
The molecular weight of 2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl- is 203.14224 g/mol.
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