CAS RN: 1810074-61-3
(R)-6-(Trifluoromethoxy)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. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260608 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1810074-61-3
- Purity/Analytical Methods: >99.0%
1810074-61-3 / (4R)-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
Basic Information
CAS
1810074-61-3
Multi CAS
No
Molecular Formula
C10H11ClF3NO2
Molecular Weight
269.650000
Exact Mass
269.043041
SMILES
C1COC2=C([C@@H]1N)C=C(C=C2)OC(F)(F)F.Cl
InChI
InChI=1S/C10H10F3NO2.ClH/c11-10(12,13)16-6-1-2-9-7(5-6)8(14)3-4-15-9;/h1-2,5,8H,3-4,14H2;1H/t8-;/m1./s1
InChIKey
BLYCHOGTNJQXPK-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.41
TPSA
44.48
LogP / Solubility
WLOGP
2.79
MLOGP
2.46
XLogP3
2.79
Consensus LogP
2.68
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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