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CAS 2687-94-7 1-n-Octyl-2-pyrrolidone molecular structure lightbox
CAS RN: 2687-94-7

1-n-Octyl-2-pyrrolidone

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 100ml In stock Inquiry
Batchno.20250722 2.5L In stock Inquiry
Batchno.20251108 25ml In stock Inquiry
Batchno.20250529 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 100ml In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250716 2.5L In stock Shanghai, Shandong Inquiry
Batchno.20251104 25ml In stock Shanghai, Guangdong Inquiry
Batchno.20250203 500ml In stock Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-125227
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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: 25g
  • 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 2687-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

2687-94-7 / 1-octylpyrrolidin-2-one

Standard CAS: 2687-94-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2687-94-7
Multi CAS
No
Molecular Formula
C12H23NO
Molecular Weight
197.320000
Exact Mass
197.177964
SMILES
CCCCCCCCN1CCCC1=O
InChI
InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3
InChIKey
WPPOGHDFAVQKLN-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Colorless viscous liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
59.19
TPSA
20.31

LogP / Solubility

WLOGP
2.97
MLOGP
2.61
XLogP3
3.2
Consensus LogP
2.93
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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