![CAS 2097800-65-0 1-[4-Chloro-2-(1-piperidyl)phenyl]ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097800-65-0.png)
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2097800-65-0 / 1-(4-chloro-2-piperidin-1-ylphenyl)ethanol
Basic Information
CAS
2097800-65-0
Multi CAS
No
Molecular Formula
C13H18ClNO
Molecular Weight
239.740000
Exact Mass
239.107692
SMILES
CC(C1=C(C=C(C=C1)Cl)N2CCCCC2)O
InChI
InChI=1S/C13H18ClNO/c1-10(16)12-6-5-11(14)9-13(12)15-7-3-2-4-8-15/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKey
KYBWIACOEYMDGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.15
TPSA
23.47
LogP / Solubility
WLOGP
3.38
MLOGP
2.98
XLogP3
3
Consensus LogP
3.12
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 2097938-51-5 1H-Benzimidazole-6-carboxylic acid, 2-[1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097938-51-5.png)
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