CAS RN: 1785760-88-4
(S)-1-(3,4-DIFLUOROPHENYL)PROPAN-1-AMINE HYDROCHLORIDE
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.20250216 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1785760-88-4
- Purity/Analytical Methods: >99.0%
1785760-88-4 / (1S)-1-(3,4-difluorophenyl)propan-1-amine;hydrochloride
Basic Information
CAS
1785760-88-4
Multi CAS
No
Molecular Formula
C9H12ClF2N
Molecular Weight
207.650000
Exact Mass
207.062633
SMILES
CC[C@@H](C1=CC(=C(C=C1)F)F)N.Cl
InChI
InChI=1S/C9H11F2N.ClH/c1-2-9(12)6-3-4-7(10)8(11)5-6;/h3-5,9H,2,12H2,1H3;1H/t9-;/m0./s1
InChIKey
BNFNPNSBDYSQAL-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.83
TPSA
26.02
LogP / Solubility
WLOGP
2.8
MLOGP
2.46
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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