![CAS 185020-38-6 Phenol, 4,4′-[(1Z,3S)-3-ethenyl-1-propene-1,3-diyl]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/185020-38-6.gif)
CAS RN: 185020-38-6
Phenol, 4,4′-[(1Z,3S)-3-ethenyl-1-propene-1,3-diyl]bis-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250503 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS185020-38-6
- Purity/Analytical Methods: >99.0%
185020-38-6 / 4-[(1Z,3S)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
Basic Information
CAS
185020-38-6
Multi CAS
No
Molecular Formula
C17H16O2
Molecular Weight
252.310000
Exact Mass
252.115030
SMILES
C=C[C@@H](/C=C\C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3-/t14-/m0/s1
InChIKey
VEAUNWQYYMXIRB-XSHSDMCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
78.19
TPSA
40.46
LogP / Solubility
WLOGP
4.08
MLOGP
3.6
XLogP3
4.4
Consensus LogP
4.03
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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