Y 18598
TL;DR: Y 18598 (CAS 97931-76-5) is a chemical compound with molecular formula C36H44Br2N2 and molecular weight 662.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-ethylpyridin-1-ium-4-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]pyridin-1-ium dibromide
Also Known As: Y 18598, Y-18598, 1-ethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-ethylpyridin-1-ium-4-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]pyridin-1-ium;dibromide, 4,4'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17,-octadecanonaen-1,18-diyl)bis(1-ethylpyridium) dibromide, 1-ethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-ethylpyridin-1-ium-4-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]pyridin-1-ium dibromide
| Molecular Formula | C36H44Br2N2 |
|---|---|
| Molecular Weight | 662.19 g/mol |
| LogP | 2.4898 |
| Topological Polar Surface Area | 7.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 12 |
| Exact Mass | 662.18713 |
| Heavy Atoms | 40 |
| Complexity | 1179.8134 |
Chemical Identifiers
| CAS Number | 97931-76-5 |
|---|---|
| SMILES | CC[N+]1=CC=C(C=C1)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=CC=[N+](C=C2)CC)\C)\C)/C)/C.[Br-].[Br-] |
Product Overview
Y 18598 (CAS 97931-76-5), with molecular formula C36H44Br2N2 and molecular weight 662.19 g/mol. IUPAC: 1-ethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-ethylpyridin-1-ium-4-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]pyridin-1-ium dibromide.
Chemical Property Profile of Y 18598
Property Insights of Y 18598
The XLogP value of 2.4898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Y 18598. With a topological polar surface area (TPSA) of 7.76 Ų, Y 18598 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Y 18598 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Y 18598?
The CAS number of Y 18598 is 97931-76-5.
What is the molecular formula of Y 18598?
The molecular formula of Y 18598 is C36H44Br2N2.
What is the molecular weight of Y 18598?
The molecular weight of Y 18598 is 662.19 g/mol.
Where can I buy Y 18598?
You can request a quote for Y 18598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Y 18598?
Yes, KEHONG BIO provides custom synthesis services for Y 18598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.