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CAS 1855920-51-2 1,3-bis(4-(3-oxomorpholino)phenyl)urea molecular structure lightbox
CAS RN: 1855920-51-2

1,3-bis(4-(3-oxomorpholino)phenyl)urea

  • Product code: SSC-085924
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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 1855920-51-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1855920-51-2 / 1,3-bis[4-(3-oxomorpholin-4-yl)phenyl]urea

Standard CAS: 1855920-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1855920-51-2
Multi CAS
No
Molecular Formula
C21H22N4O5
Molecular Weight
410.400000
Exact Mass
410.159020
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N4CCOCC4=O
InChI
InChI=1S/C21H22N4O5/c26-19-13-29-11-9-24(19)17-5-1-15(2-6-17)22-21(28)23-16-3-7-18(8-4-16)25-10-12-30-14-20(25)27/h1-8H,9-14H2,(H2,22,23,28)
InChIKey
PIRNKUOJRHMNIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
111.87
TPSA
100.21

LogP / Solubility

WLOGP
2.06
MLOGP
1.84
XLogP3
0.5
Consensus LogP
1.47
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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