1-n-n-(4-butyl- methyliodide
TL;DR: 1-n-n-(4-butyl- methyliodide (CAS 136794-32-6) is a chemical compound with molecular formula C27H35ClIN3O and molecular weight 579.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C27H35ClIN3O |
|---|---|
| Molecular Weight | 579.15 g/mol |
| LogP | 3.2863 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 579.15137 |
| Heavy Atoms | 33 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 136794-32-6 |
|---|---|
| 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 |
Product Overview
1-n-n-(4-butyl- methyliodide (CAS 136794-32-6), with molecular formula C27H35ClIN3O and molecular weight 579.15 g/mol. IUPAC: 4-[butan-2-yl-[1-(2-chlorophenyl)isoquinoline-3-carbonyl]amino]butyl-trimethylazanium iodide.
Chemical Property Profile of 1-n-n-(4-butyl- methyliodide
Property Insights of 1-n-n-(4-butyl- methyliodide
The XLogP value of 3.2863 indicates that 1-n-n-(4-butyl- methyliodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, 1-n-n-(4-butyl- methyliodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-n-n-(4-butyl- methyliodide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-n-n-(4-butyl- methyliodide?
The CAS number of 1-n-n-(4-butyl- methyliodide is 136794-32-6.
What is the molecular formula of 1-n-n-(4-butyl- methyliodide?
The molecular formula of 1-n-n-(4-butyl- methyliodide is C27H35ClIN3O.
What is the molecular weight of 1-n-n-(4-butyl- methyliodide?
The molecular weight of 1-n-n-(4-butyl- methyliodide is 579.15 g/mol.
Where can I buy 1-n-n-(4-butyl- methyliodide?
You can request a quote for 1-n-n-(4-butyl- methyliodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-n-n-(4-butyl- methyliodide?
Yes, KEHONG BIO provides custom synthesis services for 1-n-n-(4-butyl- methyliodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.