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CAS 101773-68-6 6-methoxy-2-Pyridinepropanol molecular structure lightbox
CAS RN: 101773-68-6

6-methoxy-2-Pyridinepropanol

  • Product code: SSC-002761
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101773-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

101773-68-6 / 3-(6-methoxy-2-pyridinyl)propan-1-ol

3-(6-methoxypyridin-2-yl)propan-1-ol | 6-METHOXY-2-PYRIDINEPROPANOL | MFCD18803339

Standard CAS: 101773-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101773-68-6
Multi CAS
No
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
SMILES
COC1=CC=CC(=N1)CCCO
InChI
InChI=1S/C9H13NO2/c1-12-9-6-2-4-8(10-9)5-3-7-11/h2,4,6,11H,3,5,7H2,1H3
InChIKey
WVDIIUQXKOWSSO-UHFFFAOYSA-N
Synonyms
3-(6-methoxypyridin-2-yl)propan-1-ol 6-METHOXY-2-PYRIDINEPROPANOL MFCD18803339 3-(2-Methoxypyridin-6-yl)-1-propanol SCHEMBL23888634

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.2
TPSA
42.35

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-3.02

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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