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CAS 31804-60-1 Ethyl 2-(hydroxyMethyl)pyridine-4-carboxylate molecular structure lightbox
CAS RN: 31804-60-1

Ethyl 2-(hydroxyMethyl)pyridine-4-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-137255
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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 31804-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

31804-60-1 / ethyl 2-(hydroxymethyl)pyridine-4-carboxylate

Standard CAS: 31804-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31804-60-1
Multi CAS
No
Molecular Formula
C9H11NO3
Molecular Weight
181.190000
Exact Mass
181.073893
InChI
InChI=1S/C9H11NO3/c1-2-13-9(12)7-3-4-10-8(5-7)6-11/h3-5,11H,2,6H2,1H3
InChIKey
YIVOAWVPVKOQSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.12
TPSA
59.42

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.2
Consensus LogP
0.54
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-3.29

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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