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CAS 592-17-6 N-ISOBUTYLUREA molecular structure lightbox
CAS RN: 592-17-6

N-ISOBUTYLUREA

  • Product code: SSC-167607
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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: 5g
  • Available purity: 95%+
  • 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 592-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 95%+ 0 Out of Stock Hong Kong Inquiry

592-17-6 / 2-methylpropylurea

Standard CAS: 592-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
592-17-6
Multi CAS
No
Molecular Formula
C5H12N2O
Molecular Weight
116.160000
Exact Mass
116.094963
InChI
InChI=1S/C5H12N2O/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChIKey
MQBITTBZTXUIPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
32.42
TPSA
55.12

LogP / Solubility

WLOGP
0.31
MLOGP
0.26
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
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)
-3.21

Drug-likeness / Medicinal Chemistry

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

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