CAS RN: 2411592-02-2
(R)-5,6-Dimethoxy-2,3-dihydro-1H-inden-1-amine hydrochloride
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS2411592-02-2
- Purity/Analytical Methods: >99.0%
2411592-02-2 / 5,6-dimethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
Basic Information
CAS
2411592-02-2
Multi CAS
No
Molecular Formula
C11H16ClNO2
Molecular Weight
229.700000
Exact Mass
229.086956
SMILES
COC1=C(C=C2C(CCC2=C1)N)OC.Cl
InChI
InChI=1S/C11H15NO2.ClH/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2;/h5-6,9H,3-4,12H2,1-2H3;1H/t9-;/m1./s1
InChIKey
YULANTAURATVCM-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.04
TPSA
44.48
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
2.07
Consensus LogP
1.99
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
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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