(Z)-(Hex-3-enyloxy)toluene
TL;DR: (Z)-(Hex-3-enyloxy)toluene (CAS 88191-35-9) is a chemical compound with molecular formula C32H56O9 and molecular weight 584.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,6R,9S,10S,13R,14R,15S,17R)-17-[(2R)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol
Also Known As: (Z)-(Hex-3-enyloxy)toluene, 3,6,8,15-Tetrahydroxycholestan-24-yl pentofuranoside, Cholestane-3,6,8,15-tetrol, 24-(alpha-L-arabinofuranosyloxy)-, (3beta,5alpha,6alpha,15beta)-, (3S,5R,6R,9S,10S,13R,14R,15S,17R)-17-[(2R)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol, (8xi)-3beta,6beta,8,15alpha-Tetrahydroxy-5beta,9beta,14beta-cholestan-24-yl alpha-L-arabinofuranoside
| Molecular Formula | C32H56O9 |
|---|---|
| Molecular Weight | 584.39 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 584.39246 |
| Heavy Atoms | 41 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 88191-35-9 |
|---|---|
| SMILES | C[C@H](CCC(C(C)C)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)[C@H]2C[C@@H]([C@H]3[C@@]2(CC[C@@H]4C3(C[C@H]([C@H]5[C@@]4(CC[C@@H](C5)O)C)O)O)C)O |
| InChIKey | DGWAVEJVKCTDSX-HTFCTJEOSA-N |
Product Overview
(Z)-(Hex-3-enyloxy)toluene (CAS 88191-35-9), with molecular formula C32H56O9 and molecular weight 584.39 g/mol. IUPAC: (3S,5R,6R,9S,10S,13R,14R,15S,17R)-17-[(2R)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol.
Chemical Property Profile of (Z)-(Hex-3-enyloxy)toluene
Property Insights of (Z)-(Hex-3-enyloxy)toluene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-(Hex-3-enyloxy)toluene. The TPSA of 160.0 Ų indicates high polarity, suggesting (Z)-(Hex-3-enyloxy)toluene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-(Hex-3-enyloxy)toluene has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-(Hex-3-enyloxy)toluene?
The CAS number of (Z)-(Hex-3-enyloxy)toluene is 88191-35-9.
What is the molecular formula of (Z)-(Hex-3-enyloxy)toluene?
The molecular formula of (Z)-(Hex-3-enyloxy)toluene is C32H56O9.
What is the molecular weight of (Z)-(Hex-3-enyloxy)toluene?
The molecular weight of (Z)-(Hex-3-enyloxy)toluene is 584.39 g/mol.
Where can I buy (Z)-(Hex-3-enyloxy)toluene?
You can request a quote for (Z)-(Hex-3-enyloxy)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-(Hex-3-enyloxy)toluene?
Yes, KEHONG BIO provides custom synthesis services for (Z)-(Hex-3-enyloxy)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.