Chemical Compound (C27H35ClIN3O)
TL;DR: Chemical Compound (C27H35ClIN3O) (CAS 136794-32-6) is a chemical compound with molecular formula C27H35ClIN3O and molecular weight 579.15137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
PQM-4
4-[butan-2-yl-[1-(2-chlorophenyl)isoquinoline-3-carbonyl]amino]butyl-trimethylazanium iodide
Also Known As: 1-n-n-(4-butyl- methyliodide, 1-(2-Chlorophenyl)-N-(1-methylpropyl)-N-(4-butyl-(N,N-dimethylamino)-3-isoquinolinecarboxamide)methyl iodide, 4-(sec-Butyl{[1-(2-chlorophenyl)-3-isoquinolinyl]carbonyl}amino)-N,N,N-trimethyl-1-butanaminium iodide, 1-(2-chlorophenyl)-N-(1-methylpropyl)-N-(4-butyl-(N,N-dimethylamino)-3-isoquinolinecarboxamide)methy, 1-Butanaminium, 4-(((1-(2-chlorophenyl)-3-isoquinolinyl)carbonyl)(1-methylpropyl)amino)-N,N,N-trimethyl-, iodide
Technical Specifications
| Molecular Formula | C27H35ClIN3O |
| Molecular Weight | 579.15137 g/mol |
| XLogP | 3.2863 |
| Topological Polar Surface Area (TPSA) | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 579.15137 Da |
| Heavy Atoms | 33 |
| Complexity | 592.0 |
| SMILES | CCC(C)N(CCCC[N+](C)(C)C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl.[I-] |
| InChIKey | ADBZYGNATSWZRE-UHFFFAOYSA-M |
Chemical Property Profile of Chemical Compound (C27H35ClIN3O)
Property Insights of Chemical Compound (C27H35ClIN3O)
The XLogP value of 3.2863 indicates that Chemical Compound (C27H35ClIN3O) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, Chemical Compound (C27H35ClIN3O) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chemical Compound (C27H35ClIN3O) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Chemical Compound (C27H35ClIN3O)?
The CAS number of Chemical Compound (C27H35ClIN3O) is 136794-32-6.
What is the molecular formula of Chemical Compound (C27H35ClIN3O)?
The molecular formula of Chemical Compound (C27H35ClIN3O) is C27H35ClIN3O.
What is the molecular weight of Chemical Compound (C27H35ClIN3O)?
The molecular weight of Chemical Compound (C27H35ClIN3O) is 579.15137 g/mol.
Where can I buy Chemical Compound (C27H35ClIN3O)?
You can request a quote for Chemical Compound (C27H35ClIN3O) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chemical Compound (C27H35ClIN3O)?
Yes, CoreyChem provides custom synthesis services for Chemical Compound (C27H35ClIN3O) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.