CAS RN: 1805028-11-8
(5-chloro-4-(difluoromethoxy)pyridin-2-yl)methanol
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.20251130 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1805028-11-8
- Purity/Analytical Methods: >99.0%
1805028-11-8 / [5-chloro-4-(difluoromethoxy)-2-pyridinyl]methanol
Basic Information
CAS
1805028-11-8
Multi CAS
No
Molecular Formula
C7H6ClF2NO2
Molecular Weight
209.580000
Exact Mass
209.005513
SMILES
C1=C(N=CC(=C1OC(F)F)Cl)CO
InChI
InChI=1S/C7H6ClF2NO2/c8-5-2-11-4(3-12)1-6(5)13-7(9)10/h1-2,7,12H,3H2
InChIKey
APRPOQPZQXBVLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.8
TPSA
42.35
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.6
Consensus LogP
1.68
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
