CAS RN: 6565-70-4
4-octylbenzene-1,3-diol
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.20250325 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6565-70-4
- Purity/Analytical Methods: >99.0%
6565-70-4 / 4-octylbenzene-1,3-diol
Basic Information
CAS
6565-70-4
Multi CAS
No
Molecular Formula
C14H22O2
Molecular Weight
222.320000
Exact Mass
222.161980
InChI
InChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-12-9-10-13(15)11-14(12)16/h9-11,15-16H,2-8H2,1H3
InChIKey
JPUHXNRAGDKQRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.85
TPSA
40.46
LogP / Solubility
WLOGP
4
MLOGP
3.52
XLogP3
4.5
Consensus LogP
4.01
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.24
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
1.5
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- Product Code: starshine_CAS6570-87-2
- Purity/Analytical method: >99.0%
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