![CAS 1269188-75-1 [1-(3,5-difluorophenyl)cyclopropyl]amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269188-75-1.gif)
CAS RN: 1269188-75-1
[1-(3,5-difluorophenyl)cyclopropyl]amine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260512 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1269188-75-1
- Purity/Analytical Methods: >99.0%
1269188-75-1 / 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride
Basic Information
CAS
1269188-75-1
Multi CAS
No
Molecular Formula
C9H10ClF2N
Molecular Weight
205.630000
Exact Mass
205.046983
SMILES
C1CC1(C2=CC(=CC(=C2)F)F)N.Cl
InChI
InChI=1S/C9H9F2N.ClH/c10-7-3-6(4-8(11)5-7)9(12)1-2-9;/h3-5H,1-2,12H2;1H
InChIKey
MVDPVMYWNRXRSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.71
TPSA
26.02
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.33
Consensus LogP
2.24
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
CarbaMic acid, N-(3-broMo-5-chloro-2-fluorophenyl)-, 1,1-diMethylethyl ester
- CAS RN: 1269232-94-1
- Product Code: SSC-034227
-
BenzenaMine, 5-chloro-2-fluoro-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 1269232-96-3
- Product Code: SSC-034229
-
-
2,5-Difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- CAS RN: 1269233-00-2
- Product Code: SSC-034231
-
2-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-al)aniline
- CAS RN: 1269233-01-3
- Product Code: SSC-034232
-
3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- CAS RN: 1269233-11-5
- Product Code: SSC-034233
