![CAS 1173478-72-2 4-{[6-(Acryloyloxy)Hexyl]Oxy} Phenyl Hydrogen Trans-Cyclohexane-1,4-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1173478-72-2.gif)
CAS RN: 1173478-72-2
4-{[6-(Acryloyloxy)Hexyl]Oxy} Phenyl Hydrogen Trans-Cyclohexane-1,4-Dicarboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251115 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1173478-72-2
- Purity/Analytical Methods: >99.0%
1173478-72-2 / 4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexane-1-carboxylic acid
trans-4-((4-((6-(acryloyloxy)hexyl)oxy)phenoxy)carbonyl)cyclohexanecarboxylic acid | 4-((4-((6-(Acryloyloxy)hexyl)oxy)phenoxy)carbonyl)cyclohexane-1-carboxylic acid | SCHEMBL16705648
Basic Information
CAS
1173478-72-2
Multi CAS
No
Molecular Formula
C23H30O7
Molecular Weight
418.500000
Exact Mass
418.199153
SMILES
C=CC(=O)OCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=O)O
InChI
InChI=1S/C23H30O7/c1-2-21(24)29-16-6-4-3-5-15-28-19-11-13-20(14-12-19)30-23(27)18-9-7-17(8-10-18)22(25)26/h2,11-14,17-18H,1,3-10,15-16H2,(H,25,26)
InChIKey
BWSPEBBETMTJAS-UHFFFAOYSA-N
Synonyms
trans-4-((4-((6-(acryloyloxy)hexyl)oxy)phenoxy)carbonyl)cyclohexanecarboxylic acid
4-((4-((6-(Acryloyloxy)hexyl)oxy)phenoxy)carbonyl)cyclohexane-1-carboxylic acid
SCHEMBL16705648
SCHEMBL16851730
SCHEMBL18353673
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
1
Molar refractivity
110.28
TPSA
99.13
LogP / Solubility
WLOGP
4.15
MLOGP
3.68
XLogP3
4.3
Consensus LogP
4.04
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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