N,N-二甲基野靛碱碘化物
TL;DR: N,N-二甲基野靛碱碘化物 (CAS 5853-05-4) is a chemical compound with molecular formula C13H19IN2O and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-二甲基野靛碱碘化物
11,11-dimethyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one iodide
Also Known As: (-)-Caulophylline methyl iodide, (-)-7R:9S-Caulophylline methiodide, CYTISINIUM, N,N-DIMETHYL-, IODIDE, 3,3-dimethyl-8-oxo-1,3,4,5,6,8-hexahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium iodide, RefChem:336404
| Molecular Formula | C13H19IN2O |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | -1.95 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 346.0542 |
| Heavy Atoms | 17 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 5853-05-4 |
|---|---|
| SMILES | C[N+]1(CC2CC(C1)C3=CC=CC(=O)N3C2)C.[I-] |
| InChIKey | VLKBCUWKDBHUFH-UHFFFAOYSA-M |
Product Overview
N,N-二甲基野靛碱碘化物 (CAS 5853-05-4), with molecular formula C13H19IN2O and molecular weight 346.05 g/mol. IUPAC: 11,11-dimethyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one iodide.
Chemical Property Profile of N,N-二甲基野靛碱碘化物
Property Insights of N,N-二甲基野靛碱碘化物
The XLogP value of -1.95 indicates that N,N-二甲基野靛碱碘化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.3 Ų, N,N-二甲基野靛碱碘化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-二甲基野靛碱碘化物 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-二甲基野靛碱碘化物?
The CAS number of N,N-二甲基野靛碱碘化物 is 5853-05-4.
What is the molecular formula of N,N-二甲基野靛碱碘化物?
The molecular formula of N,N-二甲基野靛碱碘化物 is C13H19IN2O.
What is the molecular weight of N,N-二甲基野靛碱碘化物?
The molecular weight of N,N-二甲基野靛碱碘化物 is 346.05 g/mol.
Where can I buy N,N-二甲基野靛碱碘化物?
You can request a quote for N,N-二甲基野靛碱碘化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-二甲基野靛碱碘化物?
Yes, KEHONG BIO provides custom synthesis services for N,N-二甲基野靛碱碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.