CAS RN: 869377-79-7
(αS)-α-(Difluoromethyl)-benzenemethanamine Hydrochloride
- Product code: SSC-196279
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
869377-79-7 / 2,2-difluoro-1-phenylethanamine;hydrochloride
Basic Information
CAS
869377-79-7
Multi CAS
Yes
Molecular Formula
C8H10CLF2N
Molecular Weight
193.620000
Exact Mass
193.046983
InChI
InChI=1S/C8H9F2N.ClH/c9-8(10)7(11)6-4-2-1-3-5-6;/h1-5,7-8H,11H2;1H/t7-;/m0./s1
InChIKey
PRPURMZIWSKOBV-FJXQXJEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.62
TPSA
26.02
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.37
Consensus LogP
2.28
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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