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CAS 1213550-52-7 (R)-7,8-difluorochroman-4-amine molecular structure lightbox
CAS RN: 1213550-52-7

(R)-7,8-difluorochroman-4-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1213550-52-7
  • Purity/Analytical Methods: >99.0%
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1213550-52-7 / (4R)-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine

7,8-difluorochroman-4-amine | MFCD07374042 | 7,8-difluoro-3,4-dihydro-2H-chromen-4-amine

Standard CAS: 1213550-52-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213550-52-7
Multi CAS
Yes
Molecular Formula
C9H9F2NO
Molecular Weight
185.170000
Exact Mass
185.065220
SMILES
C1COC2=C([C@@H]1N)C=CC(=C2F)F
InChI
InChI=1S/C9H9F2NO/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2,7H,3-4,12H2/t7-/m1/s1
InChIKey
RWFFMOBPPRECAW-SSDOTTSWSA-N
Synonyms
7,8-difluorochroman-4-amine MFCD07374042 7,8-difluoro-3,4-dihydro-2H-chromen-4-amine 7,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine (4S)-7,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine

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

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