CAS RN: 1821-24-5
1-(p-Tolyl)cyclohexanol
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.20251124 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1821-24-5
- Purity/Analytical Methods: >99.0%
1821-24-5 / 1-(4-methylphenyl)cyclohexan-1-ol
Basic Information
CAS
1821-24-5
Multi CAS
No
Molecular Formula
C13H18O
Molecular Weight
190.280000
Exact Mass
190.135765
SMILES
CC1=CC=C(C=C1)C2(CCCCC2)O
InChI
InChI=1S/C13H18O/c1-11-5-7-12(8-6-11)13(14)9-3-2-4-10-13/h5-8,14H,2-4,9-10H2,1H3
InChIKey
OBMCONSUAQQHNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.16
TPSA
20.23
LogP / Solubility
WLOGP
3.15
MLOGP
2.77
XLogP3
3
Consensus LogP
2.97
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
5-METHYLTRYPTAMINE HYDROCHLORIDE
- CAS RN: 1821-47-2
- Product Code: starshine_CAS1821-47-2
- Purity/Analytical method: >99.0%
-
N,N’-bis(trimethylsilyl)ethylenediamine
- CAS RN: 1821-99-4
- Product Code: starshine_CAS1821-99-4
- Purity/Analytical method: >99.0%
-
-
3-PIPERIDIN-3-YL-PROPIONIC ACID
- CAS RN: 1822-31-7
- Product Code: starshine_CAS1822-31-7
- Purity/Analytical method: >99.0%
