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CAS 107756-02-5 3-Pyridinemethanol,6-(1-methylethyl)-(9CI) molecular structure lightbox
CAS RN: 107756-02-5

3-Pyridinemethanol,6-(1-methylethyl)-(9CI)

  • Product code: SSC-009166
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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: 0.1g
  • 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 107756-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

107756-02-5 / (6-propan-2-yl-3-pyridinyl)methanol

(6-Isopropylpyridin-3-yl)methanol | 3-Pyridinemethanol,6-(1-methylethyl)-(9CI) | (6-propan-2-ylpyridin-3-yl)methanol

Standard CAS: 107756-02-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107756-02-5
Multi CAS
No
Molecular Formula
C9H13NO
Molecular Weight
151.210000
Exact Mass
151.099714
SMILES
CC(C)C1=NC=C(C=C1)CO
InChI
InChI=1S/C9H13NO/c1-7(2)9-4-3-8(6-11)5-10-9/h3-5,7,11H,6H2,1-2H3
InChIKey
HPTMXNXYJNMZFM-UHFFFAOYSA-N
Synonyms
(6-Isopropylpyridin-3-yl)methanol 3-Pyridinemethanol,6-(1-methylethyl)-(9CI) (6-propan-2-ylpyridin-3-yl)methanol SCHEMBL5109247 SCHEMBL29989028

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.25
TPSA
33.12

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.1
Consensus LogP
1.43
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.44

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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