CAS RN: 2322869-99-6
(S)-3,3,3-trifluoropropane-1,2-diamine dihydrochloride
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250904 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-112846
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: 0.1g, 0.25g, 1g, 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.
2322869-99-6 / 3,3,3-trifluoropropane-1,2-diamine;dihydrochloride
Basic Information
CAS
2322869-99-6
Multi CAS
No
Molecular Formula
C3H9Cl2F3N2
Molecular Weight
201.020000
Exact Mass
200.009488
SMILES
C(C(C(F)(F)F)N)N.Cl.Cl
InChI
InChI=1S/C3H7F3N2.2ClH/c4-3(5,6)2(8)1-7;;/h2H,1,7-8H2;2*1H
InChIKey
PWIDCEVCHKDDMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.58
TPSA
52.04
LogP / Solubility
WLOGP
0.68
MLOGP
0.6
XLogP3
0.68
Consensus LogP
0.65
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-3.46
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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