CAS RN: 5465-20-3
5-hexylbenzene-1,3-diol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260126 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5465-20-3
- Purity/Analytical Methods: >99.0%
5465-20-3 / 5-hexylbenzene-1,3-diol
Basic Information
CAS
5465-20-3
Multi CAS
Yes
Molecular Formula
C12H18O2
Molecular Weight
194.270000
Exact Mass
194.130680
InChI
InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-11(13)9-12(14)8-10/h7-9,13-14H,2-6H2,1H3
InChIKey
XECRVULUEJSGBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.62
TPSA
40.46
LogP / Solubility
WLOGP
3.22
MLOGP
2.83
XLogP3
4.2
Consensus LogP
3.42
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-Phenyl-2-ethylbutyric acid
- CAS RN: 5465-28-1
- Product Code: starshine_CAS5465-28-1
- Purity/Analytical method: >99.0%
-
-
2-CHLORO-4-METHYL-6-NITRO-PHENYLAMINE
- CAS RN: 5465-33-8
- Product Code: starshine_CAS5465-33-8
- Purity/Analytical method: >99.0%
-
1-(4-bromo-2-nitrophenyl)piperidine
- CAS RN: 5465-66-7
- Product Code: starshine_CAS5465-66-7
- Purity/Analytical method: >99.0%
-
-
4-Methyl-2-(1-piperidinyl)-quinoline
- CAS RN: 5465-86-1
- Product Code: starshine_CAS5465-86-1
- Purity/Analytical method: >99.0%
