[email protected]
CAS 1392212-91-7 8-(trifluoromethyl)chroman-4-amine hydrochloride molecular structure lightbox
CAS RN: 1392212-91-7

8-(trifluoromethyl)chroman-4-amine hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1392212-91-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1392212-91-7 / 8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride

Standard CAS: 1392212-91-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1392212-91-7
Multi CAS
No
Molecular Formula
C10H11ClF3NO
Molecular Weight
253.650000
Exact Mass
253.048126
SMILES
C1COC2=C(C1N)C=CC=C2C(F)(F)F.Cl
InChI
InChI=1S/C10H10F3NO.ClH/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7;/h1-3,8H,4-5,14H2;1H
InChIKey
CZTHXVIPUSKPKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.73
TPSA
35.25

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
2.91
Consensus LogP
2.8
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us