![CAS 1261998-84-8 2-[Benzo(b)thiophen-2-yl]-5-hydroxypyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261998-84-8.gif)
CAS RN: 1261998-84-8
2-[Benzo(b)thiophen-2-yl]-5-hydroxypyridine
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.20250912 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1261998-84-8
- Purity/Analytical Methods: >99.0%
1261998-84-8 / 6-(1-benzothiophen-2-yl)pyridin-3-ol
Basic Information
CAS
1261998-84-8
Multi CAS
No
Molecular Formula
C13H9NOS
Molecular Weight
227.280000
Exact Mass
227.040485
SMILES
C1=CC=C2C(=C1)C=C(S2)C3=NC=C(C=C3)O
InChI
InChI=1S/C13H9NOS/c15-10-5-6-11(14-8-10)13-7-9-3-1-2-4-12(9)16-13/h1-8,15H
InChIKey
RTRDZUIOYHWHQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.72
TPSA
33.12
LogP / Solubility
WLOGP
3.67
MLOGP
3.23
XLogP3
3.2
Consensus LogP
3.37
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1262036-49-6 N-[3-[(4aS,7aS)-2-Amino-5,7-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(4aH)-yl]-4-fluorophenyl]-5-fluoro-2-pyridinecarboxamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1262036-49-6.gif)
