![3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride structure](/static/products/1546/154644-22-1.webp)
3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride
TL;DR: 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride (CAS 154644-22-1) is a chemical compound with molecular formula C29H35ClN4 and molecular weight 474.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride
Also Known As: 2-(3-{3,3-Dimethyl-1-[3-(3-methyl-3H-diaziren-3-yl)propyl]-1,3-dihydro-2H-indol-2-ylidene}prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride, 2-(3-{3,3-Dimethyl-1-[3-(3-methyl-3H-diazirin-3-yl)propyl]-1,3-dihydro-2H-indol-2-ylidene}prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride
| Molecular Formula | C29H35ClN4 |
|---|---|
| Molecular Weight | 474.26 g/mol |
| LogP | 3.8967 |
| Topological Polar Surface Area | 31.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.25504 |
| Heavy Atoms | 34 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 154644-22-1 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCC5(N=N5)C)(C)C)C)C.[Cl-] |
| InChIKey | RDZOQDZSSWYGFI-UHFFFAOYSA-M |
Product Overview
3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride (CAS 154644-22-1), with molecular formula C29H35ClN4 and molecular weight 474.26 g/mol. IUPAC: 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride.
Chemical Property Profile of 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride
Property Insights of 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride
The XLogP value of 3.8967 indicates that 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.0 Ų, 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride has 0 hydrogen bond donor(s) and 4 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 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride?
The CAS number of 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride is 154644-22-1.
What is the molecular formula of 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride?
The molecular formula of 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride is C29H35ClN4.
What is the molecular weight of 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride?
The molecular weight of 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride is 474.26 g/mol.
Where can I buy 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride?
You can request a quote for 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.