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CAS 1266231-84-8 (R)-7,8-difluorochroman-4-amine hydrochloride molecular structure lightbox
CAS RN: 1266231-84-8

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

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1266231-84-8
  • Purity/Analytical Methods: >99.0%
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1266231-84-8 / (4R)-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

Standard CAS: 1266231-84-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1266231-84-8
Multi CAS
No
Molecular Formula
C9H10ClF2NO
Molecular Weight
221.630000
Exact Mass
221.041898
SMILES
C1COC2=C([C@@H]1N)C=CC(=C2F)F.Cl
InChI
InChI=1S/C9H9F2NO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H/t7-;/m1./s1
InChIKey
UUOXQIUITFURPF-OGFXRTJISA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.65
TPSA
35.25

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.17
Consensus LogP
2.08
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.53

Drug-likeness / Medicinal Chemistry

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

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