![CAS 2177263-68-0 (3R)-6-METHYL-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177263-68-0.png)
CAS RN: 2177263-68-0
(3R)-6-METHYL-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE HYDROCHLORIDE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS2177263-68-0
- Purity/Analytical Methods: >99.0%
2177263-68-0 / (3R)-6-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
Basic Information
CAS
2177263-68-0
Multi CAS
No
Molecular Formula
C9H12ClNO
Molecular Weight
185.650000
Exact Mass
185.060742
SMILES
CC1=CC2=C(C=C1)[C@H](CO2)N.Cl
InChI
InChI=1S/C9H11NO.ClH/c1-6-2-3-7-8(10)5-11-9(7)4-6;/h2-4,8H,5,10H2,1H3;1H/t8-;/m0./s1
InChIKey
DRIISXPOUIZWKD-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.85
TPSA
35.25
LogP / Solubility
WLOGP
1.81
MLOGP
1.59
XLogP3
1.81
Consensus LogP
1.74
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.57
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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