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CAS 38070-80-3 3,4-bis-(hydroxyMethyl)-pyridine molecular structure lightbox
CAS RN: 38070-80-3

3,4-bis-(hydroxyMethyl)-pyridine

  • Product code: SSC-145585
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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: 5g
  • Available purity: ＞97%
  • 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 38070-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

38070-80-3 / [3-(hydroxymethyl)-4-pyridinyl]methanol

Standard CAS: 38070-80-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38070-80-3
Multi CAS
No
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
InChI
InChI=1S/C7H9NO2/c9-4-6-1-2-8-3-7(6)5-10/h1-3,9-10H,4-5H2
InChIKey
UOBHUUYYDVWYLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.08
TPSA
53.35

LogP / Solubility

WLOGP
0.07
MLOGP
0.05
XLogP3
-0.9
Consensus LogP
-0.26
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-3.52

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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