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CAS 62885-49-8 (4,5-Dimethoxy-pyridin-2-yl)-methanol molecular structure lightbox
CAS RN: 62885-49-8

(4,5-Dimethoxy-pyridin-2-yl)-methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260210 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62885-49-8
  • Purity/Analytical Methods: >99.0%
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62885-49-8 / (4,5-dimethoxy-2-pyridinyl)methanol

Standard CAS: 62885-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62885-49-8
Multi CAS
No
Molecular Formula
C8H11NO3
Molecular Weight
169.180000
Exact Mass
169.073893
InChI
InChI=1S/C8H11NO3/c1-11-7-3-6(5-10)9-4-8(7)12-2/h3-4,10H,5H2,1-2H3
InChIKey
WEKYFXSPOXGUQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.26
TPSA
51.58

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
-0.1
Consensus LogP
0.34
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-3.33

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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