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CAS 120277-39-6 2-Propen-1-ol,3-(3-pyridinyl)-,(2E)-(9CI) molecular structure lightbox
CAS RN: 120277-39-6

2-Propen-1-ol,3-(3-pyridinyl)-,(2E)-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-021135
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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 120277-39-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

120277-39-6 / (E)-3-pyridin-3-ylprop-2-en-1-ol

3-(3-pyridyl)prop-2-en-1-ol | 2-Propen-1-ol, 3-(3-pyridinyl)- | 3-(3-Pyridinyl)-2-propen-1-ol

Standard CAS: 120277-39-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120277-39-6
Multi CAS
Yes
Molecular Formula
C8H9NO
Molecular Weight
135.160000
Exact Mass
135.068414
SMILES
C1=CC(=CN=C1)/C=C/CO
InChI
InChI=1S/C8H9NO/c10-6-2-4-8-3-1-5-9-7-8/h1-5,7,10H,6H2/b4-2+
InChIKey
RSFCHWDTMRVOJD-DUXPYHPUSA-N
Synonyms
3-(3-pyridyl)prop-2-en-1-ol 2-Propen-1-ol, 3-(3-pyridinyl)- 3-(3-Pyridinyl)-2-propen-1-ol SCHEMBL6132907 RSFCHWDTMRVOJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.36
TPSA
33.12

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
0.4
Consensus LogP
0.81
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.77

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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