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CAS 1255638-36-8 5-Hydroxy-2-(2-methoxyphenyl)pyridine molecular structure lightbox
CAS RN: 1255638-36-8

5-Hydroxy-2-(2-methoxyphenyl)pyridine

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Batchno.20260628 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1255638-36-8
  • Purity/Analytical Methods: >99.0%
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1255638-36-8 / 6-(2-methoxyphenyl)pyridin-3-ol

Standard CAS: 1255638-36-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1255638-36-8
Multi CAS
No
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
SMILES
COC1=CC=CC=C1C2=NC=C(C=C2)O
InChI
InChI=1S/C12H11NO2/c1-15-12-5-3-2-4-10(12)11-7-6-9(14)8-13-11/h2-8,14H,1H3
InChIKey
RSWPDQFILREJAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.89
TPSA
42.35

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-2.2

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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