CAS RN: 79004-25-4
4′-O-Methylnyasol
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.20250723 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS79004-25-4
- Purity/Analytical Methods: >99.0%
79004-25-4 / 4-[(1Z,3R)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]phenol
Basic Information
CAS
79004-25-4
Multi CAS
Yes
Molecular Formula
C18H18O2
Molecular Weight
266.300000
Exact Mass
266.130680
InChI
InChI=1S/C18H18O2/c1-3-15(16-8-10-17(19)11-9-16)7-4-14-5-12-18(20-2)13-6-14/h3-13,15,19H,1H2,2H3/b7-4-/t15-/m1/s1
InChIKey
MTYGOTBQCBXZQD-IJVDHGTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.07
TPSA
29.46
LogP / Solubility
WLOGP
4.38
MLOGP
3.87
XLogP3
4.7
Consensus LogP
4.32
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
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)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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