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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
878804-93-4 / 3-(difluoromethyl)pyridin-2-amine
Basic Information
CAS
878804-93-4
Multi CAS
No
Molecular Formula
C6F2H6N2
Molecular Weight
144.120000
Exact Mass
144.049905
InChI
InChI=1S/C6H6F2N2/c7-5(8)4-2-1-3-10-6(4)9/h1-3,5H,(H2,9,10)
InChIKey
ANDIJFDISUBYSA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.61
TPSA
38.91
LogP / Solubility
WLOGP
1.6
MLOGP
1.4
XLogP3
1.1
Consensus LogP
1.37
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.46
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
-
-
-
2,2,2-trifluoro-1-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H)-yl)ethanone
- CAS RN: 878805-74-4
- Product Code: SSC-198240
-
-
-
ML-098
- CAS RN: 878978-76-8
- Product Code: starshine_CAS878978-76-8
- Purity/Analytical method: >99.0%
