CAS RN: 1367919-78-5

4H,6H,7H-thieno[3,2-c]pyran-2-amine

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  • Product code: LINH927330
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1367919-78-5 / 6,7-dihydro-4H-thieno[3,2-c]pyran-2-amine

Standard CAS: 1367919-78-5 Multi CAS: No

Basic Information

CAS
1367919-78-5
Multi CAS
No
Molecular Formula
C7H9NOS
Molecular Weight
155.220000
Exact Mass
155.040485
SMILES
C1COCC2=C1SC(=C2)N
InChI
InChI=1S/C7H9NOS/c8-7-3-5-4-9-2-1-6(5)10-7/h3H,1-2,4,8H2
InChIKey
ZFNDAQWDPIZFAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.09
TPSA
35.25

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1
Consensus LogP
1.21
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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