[email protected]
CAS 4368-06-3 3-HYDROXYBUTYRONITRILE molecular structure lightbox
CAS RN: 4368-06-3

3-HYDROXYBUTYRONITRILE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260401 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-151785
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: 10g
  • 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 4368-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

4368-06-3 / 3-hydroxybutanenitrile

Standard CAS: 4368-06-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4368-06-3
Multi CAS
Yes
Molecular Formula
C4H7NO
Molecular Weight
85.100000
Exact Mass
85.052764
InChI
InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3
InChIKey
BYJAJQGCMSBKPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
21.91
TPSA
44.02

LogP / Solubility

WLOGP
0.28
MLOGP
0.23
XLogP3
-0.3
Consensus LogP
0.07
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very 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)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us