CAS RN: 1391361-52-6
(R)-1-(4-Fluorophenyl)but-3-en-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.20260420 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391361-52-6
- Purity/Analytical Methods: >99.0%
1391361-52-6 / (1R)-1-(4-fluorophenyl)but-3-en-1-amine;hydrochloride
Basic Information
CAS
1391361-52-6
Multi CAS
No
Molecular Formula
C10H13ClFN
Molecular Weight
201.670000
Exact Mass
201.072055
SMILES
C=CC[C@H](C1=CC=C(C=C1)F)N.Cl
InChI
InChI=1S/C10H12FN.ClH/c1-2-3-10(12)8-4-6-9(11)7-5-8;/h2,4-7,10H,1,3,12H2;1H/t10-;/m1./s1
InChIKey
TXYCZYDHHPXNIK-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.39
TPSA
26.02
LogP / Solubility
WLOGP
2.82
MLOGP
2.48
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(S)-1-(4-Pyridinyl)propylamine 2hcl
- CAS RN: 1391361-83-3
- Product Code: starshine_CAS1391361-83-3
- Purity/Analytical method: >99.0%
-
METHYL 2-[(1R)-1-AMINOETHYL]BENZOATE HYDROCHLORIDE
- CAS RN: 1391373-95-7
- Product Code: starshine_CAS1391373-95-7
- Purity/Analytical method: >99.0%
-
(2S)-2-AMINO-2-(2-CHLORO-4-FLUOROPHENYL)ETHAN-1-OL HYDROCHLORIDE
- CAS RN: 1391376-63-8
- Product Code: starshine_CAS1391376-63-8
- Purity/Analytical method: >99.0%
-
(1R)-2-METHYL-1-(4-METHYLPHENYL)PROPYLAMINE HYDROCHLORIDE
- CAS RN: 1391378-45-2
- Product Code: starshine_CAS1391378-45-2
- Purity/Analytical method: >99.0%
-
(S)-1-(2-Fluoro-6-methoxyphenyl)ethanamine hydrochloride
- CAS RN: 1391378-74-7
- Product Code: starshine_CAS1391378-74-7
- Purity/Analytical method: >99.0%
-
(1R)-2,2,2-TRIFLUORO-1-(3-METHYLPHENYL)ETHYLAMINE HYDROCHLORIDE
- CAS RN: 1391379-40-0
- Product Code: SSC-049437
![CAS 1391373-95-7 METHYL 2-[(1R)-1-AMINOETHYL]BENZOATE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391373-95-7.gif)
