CAS RN: 1212812-49-1
(S)-1-(3,5-DIFLUOROPHENYL)PROPAN-1-AMINE-HCl
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.20250310 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1212812-49-1
- Purity/Analytical Methods: >99.0%
1212812-49-1 / (1S)-1-(3,5-difluorophenyl)propan-1-amine;hydrochloride
(S)-1-(3,5-DIFLUOROPHENYL)PROPAN-1-AMINE hydrochloride | (S)-1-(3,5-DIFLUOROPHENYL)PROPAN-1-AMINE-HCl | MFCD11101248
Basic Information
CAS
1212812-49-1
Multi CAS
Yes
Molecular Formula
C9H12ClF2N
Molecular Weight
207.650000
Exact Mass
207.062633
SMILES
CC[C@@H](C1=CC(=CC(=C1)F)F)N.Cl
InChI
InChI=1S/C9H11F2N.ClH/c1-2-9(12)6-3-7(10)5-8(11)4-6;/h3-5,9H,2,12H2,1H3;1H/t9-;/m0./s1
InChIKey
LGEMCPLXQQXMSU-FVGYRXGTSA-N
Synonyms
(S)-1-(3,5-DIFLUOROPHENYL)PROPAN-1-AMINE hydrochloride
(S)-1-(3,5-DIFLUOROPHENYL)PROPAN-1-AMINE-HCl
MFCD11101248
(s)-1-(3,5-difluorophenyl)propan-1-amine hcl
(1S)-1-(3,5-Difluorophenyl)propylamine hydrochloride
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
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