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CAS 2158-09-0 n-Dodecylurea molecular structure lightbox
CAS RN: 2158-09-0

n-Dodecylurea

  • Product code: SSC-103428
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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: ≥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 2158-09-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2158-09-0 / dodecylurea

Standard CAS: 2158-09-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2158-09-0
Multi CAS
No
Molecular Formula
C13H28N2O
Molecular Weight
228.370000
Exact Mass
228.220164
SMILES
CCCCCCCCCCCCNC(=O)N
InChI
InChI=1S/C13H28N2O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16/h2-12H2,1H3,(H3,14,15,16)
InChIKey
WRNOAELBRPKVHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
2
Molar refractivity
69.43
TPSA
55.12

LogP / Solubility

WLOGP
3.58
MLOGP
3.15
XLogP3
4.6
Consensus LogP
3.78
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly 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)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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