TL;DR: 7-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one (CAS 63917-72-6) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: Ethyldesacetylcolchaminone, Ethylaminodesacetylcolchicide, BENZO(a)HEPTALEN-9(5H)-ONE, 7-AMINO-6,7-DIHYDRO-10-ETHYLAMINO-1,2,3-TRIMETHOXY-, 7-amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one, 7-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
| Molecular Formula | C21H26N2O4 |
| Molecular Weight | 370.18927 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.18927 Da |
| Heavy Atoms | 27 |
| Complexity | 655.0 |
| SMILES | CCNC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N |
| InChIKey | VYUFNWRNNZSPHQ-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one. Following Lipinski's Rule of Five, 7-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one is 63917-72-6.
The molecular formula of 7-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one is C21H26N2O4.
The molecular weight of 7-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one is 370.18927 g/mol.
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