[email protected]
CAS 1158215-71-4 4-(1-PYRROLIDINYL)-3-(TRIFLUOROMETHYL)BEZENAMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 1158215-71-4

4-(1-PYRROLIDINYL)-3-(TRIFLUOROMETHYL)BEZENAMINE DIHYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260118 1g Out of stock Inquiry
Batchno.20250718 250mg In stock Shanghai Inquiry
Batchno.20260425 5g In stock Tianjin Inquiry
  • Product code: SSC-015544
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1158215-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1158215-71-4 / 4-pyrrolidin-1-yl-3-(trifluoromethyl)aniline;dihydrochloride

4-(pyrrolidin-1-yl)-3-(trifluoromethyl)aniline dihydrochloride | 4-(1-Pyrrolidinyl)-3-(trifluoromethyl)bezenamine dihydrochloride | MFCD04117872

Standard CAS: 1158215-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1158215-71-4
Multi CAS
No
Molecular Formula
C11H15Cl2F3N2
Molecular Weight
303.150000
Exact Mass
302.056438
SMILES
C1CCN(C1)C2=C(C=C(C=C2)N)C(F)(F)F.Cl.Cl
InChI
InChI=1S/C11H13F3N2.2ClH/c12-11(13,14)9-7-8(15)3-4-10(9)16-5-1-2-6-16;;/h3-4,7H,1-2,5-6,15H2;2*1H
InChIKey
IFCKLFBKZTYXEA-UHFFFAOYSA-N
Synonyms
4-(pyrrolidin-1-yl)-3-(trifluoromethyl)aniline dihydrochloride 4-(1-Pyrrolidinyl)-3-(trifluoromethyl)bezenamine dihydrochloride MFCD04117872 4-pyrrolidin-1-yl-3-(trifluoromethyl)aniline;dihydrochloride Benzenamine, 4-(1-pyrrolidinyl)-3-(trifluoromethyl)-, hydrochloride (1:2)

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.8
TPSA
29.26

LogP / Solubility

WLOGP
3.73
MLOGP
3.3
XLogP3
3.73
Consensus LogP
3.59
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us