CAS RN: 1375708-67-0
1-(2,6-Dichloropyridin-3-yl)ethan-1-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.20251120 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1375708-67-0
- Purity/Analytical Methods: >99.0%
1375708-67-0 / 1-(2,6-dichloro-3-pyridinyl)ethanol
Basic Information
CAS
1375708-67-0
Multi CAS
No
Molecular Formula
C7H7Cl2NO
Molecular Weight
192.040000
Exact Mass
190.990469
SMILES
CC(C1=C(N=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C7H7Cl2NO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-4,11H,1H3
InChIKey
CPMIHFQQLSYKOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.89
TPSA
33.12
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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