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CAS 75694-90-5 4-nitrobutan-1-ol molecular structure lightbox
CAS RN: 75694-90-5

4-nitrobutan-1-ol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260212 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-185139
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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: ＞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 75694-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

75694-90-5 / 4-nitrobutan-1-ol

Standard CAS: 75694-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75694-90-5
Multi CAS
No
Molecular Formula
C4H9NO3
Molecular Weight
119.120000
Exact Mass
119.058243
InChI
InChI=1S/C4H9NO3/c6-4-2-1-3-5(7)8/h6H,1-4H2
InChIKey
XSOWARLVOQBBOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.18
TPSA
63.37

LogP / Solubility

WLOGP
0.04
MLOGP
0.02
XLogP3
0.1
Consensus LogP
0.05
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
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)
-3.42

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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