TL;DR: 11-(4-bromophenyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline-2,4-diamine (CAS 159717-98-3) is a chemical compound with molecular formula C19H16BrN5S and molecular weight 425.03098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(4-bromophenyl)-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12,14-hexaene-13,15-diamine
Also Known As: 11-(4-bromophenyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline-2,4-diamine
| Molecular Formula | C19H16BrN5S |
| Molecular Weight | 425.03098 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 425.03098 Da |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
| SMILES | C1CCC2=C(C1)C(=C3C4=C(C(=NC(=N4)N)N)SC3=N2)C5=CC=C(C=C5)Br |
| InChIKey | TZHLRUBVTSHYQY-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 11-(4-bromophenyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(4-bromophenyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline-2,4-diamine. Following Lipinski's Rule of Five, 11-(4-bromophenyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline-2,4-diamine 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 11-(4-bromophenyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline-2,4-diamine is 159717-98-3.
The molecular formula of 11-(4-bromophenyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline-2,4-diamine is C19H16BrN5S.
The molecular weight of 11-(4-bromophenyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline-2,4-diamine is 425.03098 g/mol.
You can request a quote for 11-(4-bromophenyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline-2,4-diamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
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