CAS RN: 1114559-14-6
(R)-1-(4-Chloro-3-fluorophenyl)ethanamine
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.20260425 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-012161
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1114559-14-6 / (1R)-1-(4-chloro-3-fluorophenyl)ethanamine
1-(4-chloro-3-fluorophenyl)ethan-1-amine | RefChem:425148 | 818-330-6
Basic Information
CAS
1114559-14-6
Multi CAS
Yes
Molecular Formula
C8H9ClFN
Molecular Weight
173.610000
Exact Mass
173.040755
SMILES
C[C@H](C1=CC(=C(C=C1)Cl)F)N
InChI
InChI=1S/C8H9ClFN/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
SRVZZCBLNXFARS-RXMQYKEDSA-N
Synonyms
1-(4-chloro-3-fluorophenyl)ethan-1-amine
RefChem:425148
818-330-6
1-(4-chloro-3-fluorophenyl)ethanamine
Benzenemethanamine, 4-chloro-3-fluoro-.alpha.-methyl-
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.01
TPSA
26.02
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
1.9
Consensus LogP
2.2
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
(S)-6-(2-hydroxy-2-methyl-propyl)-3-{(S)-1-[4-(1-methyl-2-oxo-1,2-dihydro-pyridin-4-yl)-phenyl]-ethyl}-6-phenyl-[1,3]oxazinan-2-one
- CAS RN: 1114561-85-1
- Product Code: starshine_CAS1114561-85-1
- Purity/Analytical method: >99.0%
-
-
5-bromo-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
- CAS RN: 1114563-10-8
- Product Code: SSC-012165
-
-
![CAS 1114561-85-1 (S)-6-(2-hydroxy-2-methyl-propyl)-3-{(S)-1-[4-(1-methyl-2-oxo-1,2-dihydro-pyridin-4-yl)-phenyl]-ethyl}-6-phenyl-[1,3]oxazinan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1114561-85-1.gif)
