[email protected]
CAS 1213126-25-0 (4S)-6,7-DIFLUOROCHROMANE-4-YLAMINE molecular structure lightbox
CAS RN: 1213126-25-0

(4S)-6,7-DIFLUOROCHROMANE-4-YLAMINE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 100mg In stock Shanghai Inquiry
Batchno.20250804 1g In stock Shenzhen Inquiry
Batchno.20251230 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260309 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1213126-25-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1213126-25-0 / (4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-amine

6,7-DIFLUOROCHROMAN-4-AMINE | 6,7-DIFLUORO-CHROMAN-4-YLAMINE | MFCD07374039

Standard CAS: 1213126-25-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213126-25-0
Multi CAS
Yes
Molecular Formula
C9H9F2NO
Molecular Weight
185.170000
Exact Mass
185.065220
SMILES
C1COC2=CC(=C(C=C2[C@H]1N)F)F
InChI
InChI=1S/C9H9F2NO/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4,8H,1-2,12H2/t8-/m0/s1
InChIKey
GOQOIXARHKVMLS-QMMMGPOBSA-N
Synonyms
6,7-DIFLUOROCHROMAN-4-AMINE 6,7-DIFLUORO-CHROMAN-4-YLAMINE MFCD07374039 6,7-DIFLUORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE 2H-1-Benzopyran-4-amine, 6,7-difluoro-3,4-dihydro-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.4
TPSA
35.25

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.61

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

Get In Touch

Contact Us