CAS RN: 2411857-60-6
1,3-Dichloro-2-(p-tolyl)propan-2-ol
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.20250901 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND914475
2411857-60-6 / 1,3-dichloro-2-(4-methylphenyl)propan-2-ol
Basic Information
CAS
2411857-60-6
Multi CAS
No
Molecular Formula
C10H12Cl2O
Molecular Weight
219.100000
Exact Mass
218.026520
SMILES
CC1=CC=C(C=C1)C(CCl)(CCl)O
InChI
InChI=1S/C10H12Cl2O/c1-8-2-4-9(5-3-8)10(13,6-11)7-12/h2-5,13H,6-7H2,1H3
InChIKey
COVBMAWWXQNWMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.52
TPSA
20.23
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.4
Consensus LogP
2.47
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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