![CAS 149289-29-2 1-[2-amino-1-(4-hydroxyphenyl)ethyl]cyclohexanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149289-29-2.gif)
CAS RN: 149289-29-2
1-[2-amino-1-(4-hydroxyphenyl)ethyl]cyclohexanol
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.20250123 | 1mg / 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS149289-29-2
- Purity/Analytical Methods: >99.0%
149289-29-2 / 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol
Basic Information
CAS
149289-29-2
Multi CAS
No
Molecular Formula
C14H21NO2
Molecular Weight
235.320000
Exact Mass
235.157229
SMILES
C1CCC(CC1)(C(CN)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C14H21NO2/c15-10-13(11-4-6-12(16)7-5-11)14(17)8-2-1-3-9-14/h4-7,13,16-17H,1-3,8-10,15H2
InChIKey
BHCUWXACHAFFSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
67.94
TPSA
66.48
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
2.2
Consensus LogP
2.07
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
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