![CAS 131337-81-0 THIENO[2,3-B]PYRIDIN-2-YLMETHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/131337-81-0.gif)
CAS RN: 131337-81-0
THIENO[2,3-B]PYRIDIN-2-YLMETHANOL
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.20260521 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS131337-81-0
- Purity/Analytical Methods: >99.0%
131337-81-0 / thieno[2,3-b]pyridin-2-ylmethanol
Basic Information
CAS
131337-81-0
Multi CAS
No
Molecular Formula
C8H7NOS
Molecular Weight
165.210000
Exact Mass
165.024835
SMILES
C1=CC2=C(N=C1)SC(=C2)CO
InChI
InChI=1S/C8H7NOS/c10-5-7-4-6-2-1-3-9-8(6)11-7/h1-4,10H,5H2
InChIKey
XLUKSWZEEAGBDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.54
TPSA
33.12
LogP / Solubility
WLOGP
1.79
MLOGP
1.57
XLogP3
1.4
Consensus LogP
1.59
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
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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