CAS RN: 153812-97-6
2-Chloro-5-ethylphenol
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.20260516 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC905543
153812-97-6 / 2-chloro-5-ethylphenol
Basic Information
CAS
153812-97-6
Multi CAS
No
Molecular Formula
C8H9ClO
Molecular Weight
156.610000
Exact Mass
156.034193
SMILES
CCC1=CC(=C(C=C1)Cl)O
InChI
InChI=1S/C8H9ClO/c1-2-6-3-4-7(9)8(10)5-6/h3-5,10H,2H2,1H3
InChIKey
CKMBKXCVJBMYOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.49
TPSA
20.23
LogP / Solubility
WLOGP
2.61
MLOGP
2.29
XLogP3
3
Consensus LogP
2.63
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
