[email protected]
CAS 29509-06-6 4-METHYL-3-OXOPENTANENITRILE molecular structure lightbox
CAS RN: 29509-06-6

4-METHYL-3-OXOPENTANENITRILE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250313 1g In stock Inquiry
Batchno.20260127 25g In stock Inquiry
Batchno.20250603 5g In stock Inquiry
  • Product code: SSC-132416
GET A QUOTE
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, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 29509-06-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

29509-06-6 / 4-methyl-3-oxopentanenitrile

Standard CAS: 29509-06-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29509-06-6
Multi CAS
Yes
Molecular Formula
C6H9NO
Molecular Weight
111.140000
Exact Mass
111.068414
InChI
InChI=1S/C6H9NO/c1-5(2)6(8)3-4-7/h5H,3H2,1-2H3
InChIKey
VKZGTORDNRVMIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
30.07
TPSA
40.86

LogP / Solubility

WLOGP
1.13
MLOGP
0.98
XLogP3
0.9
Consensus LogP
1
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-2.6

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