![CAS 1272732-77-0 (3R)-6-(TRIFLUOROMETHYL)-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1272732-77-0.gif)
CAS RN: 1272732-77-0
(3R)-6-(TRIFLUOROMETHYL)-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE
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.20260630 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1272732-77-0
- Purity/Analytical Methods: >99.0%
1272732-77-0 / (3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine
Basic Information
CAS
1272732-77-0
Multi CAS
No
Molecular Formula
C9H8F3NO
Molecular Weight
203.160000
Exact Mass
203.055798
SMILES
C1[C@@H](C2=C(O1)C=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C9H8F3NO/c10-9(11,12)5-1-2-6-7(13)4-14-8(6)3-5/h1-3,7H,4,13H2/t7-/m0/s1
InChIKey
NLRNETOWPNISMQ-ZETCQYMHSA-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
43.87
TPSA
35.25
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
1.4
Consensus LogP
1.78
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.47
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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