![CAS 5196-20-3 1,3-dihydro-6-methylfuro[3,4-c]pyridin-7-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5196-20-3.gif)
CAS RN: 5196-20-3
1,3-dihydro-6-methylfuro[3,4-c]pyridin-7-ol
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS5196-20-3
- Purity/Analytical Methods: >99.0%
5196-20-3 / 6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
Basic Information
CAS
5196-20-3
Multi CAS
No
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
SMILES
CC1=NC=C2COCC2=C1O
InChI
InChI=1S/C8H9NO2/c1-5-8(10)7-4-11-3-6(7)2-9-5/h2,10H,3-4H2,1H3
InChIKey
GFEZPGADIMGWOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.13
TPSA
42.35
LogP / Solubility
WLOGP
1.13
MLOGP
0.98
XLogP3
0.1
Consensus LogP
0.74
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.84
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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