Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
1374659-33-2 / 3,5-dichloro-4-(difluoromethyl)pyridine
Basic Information
CAS
1374659-33-2
Multi CAS
No
Molecular Formula
C6H3Cl2F2N
Molecular Weight
197.990000
Exact Mass
196.961061
SMILES
C1=C(C(=C(C=N1)Cl)C(F)F)Cl
InChI
InChI=1S/C6H3Cl2F2N/c7-3-1-11-2-4(8)5(3)6(9)10/h1-2,6H
InChIKey
SQQNYQZGLSIAIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.21
TPSA
12.89
LogP / Solubility
WLOGP
3.33
MLOGP
2.93
XLogP3
2.7
Consensus LogP
2.99
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
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5-Bromo-2-chloro-4-(difluoromethyl)pyridine
- CAS RN: 1374659-34-3
- Product Code: SSC-047092
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