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CAS 592-31-4 Butylurea molecular structure lightbox
CAS RN: 592-31-4

Butylurea

  • Product code: SSC-167609
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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: 100g
  • 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 592-31-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

592-31-4 / butylurea

Standard CAS: 592-31-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
592-31-4
Multi CAS
Yes
Molecular Formula
C5H12N2O
Molecular Weight
116.160000
Exact Mass
116.094963
InChI
InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKey
CNWSQCLBDWYLAN-UHFFFAOYSA-N

Physical Properties

Melting Point
205 °F (NTP, 1992) 96 °C
Physical Description
N-butylurea is an odorless white solid. (NTP, 1992) White odorless solid; [Hawley]
Appearance
TABLETS FROM WATER; NEEDLES FROM BENZENE WHITE SOLID
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
32.49
TPSA
55.12

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
0.4
Consensus LogP
0.41
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.15
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)
-3.11

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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