[email protected]
CAS 3978-81-2 4-tert-Butylpyridine molecular structure lightbox
CAS RN: 3978-81-2

4-tert-Butylpyridine

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 100ml In stock Shanghai, Shandong Inquiry
Batchno.20250114 25ml In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250221 5ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 5ml / 25ml / 100ml Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-147513
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3978-81-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 4 In Stock Shanghai Inquiry
25g >98% 2 In Stock Hong Kong Inquiry
100g >98% 0 Out of Stock Hong Kong Inquiry
500g >98% 0 Out of Stock Shenzhen Inquiry

3978-81-2 / 4-tert-butylpyridine

Standard CAS: 3978-81-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3978-81-2
Multi CAS
No
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
InChI
InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
InChIKey
YSHMQTRICHYLGF-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear brown liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
42.94
TPSA
12.89

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
2.5
Consensus LogP
2.32
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-1.86

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us