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CAS 1205-90-9 1,1′-(p-phenylene)bis(urea) molecular structure lightbox
CAS RN: 1205-90-9

1,1′-(p-phenylene)bis(urea)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250509 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS1205-90-9
  • Purity/Analytical Methods: >99.0%
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1205-90-9 / [4-(carbamoylamino)phenyl]urea

1,1'-(1,4-Phenylene)diurea | [4-(carbamoylamino)phenyl]urea | 1,4-diureidobenzene

Standard CAS: 1205-90-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1205-90-9
Multi CAS
No
Molecular Formula
C8H10N4O2
Molecular Weight
194.190000
Exact Mass
194.080376
SMILES
C1=CC(=CC=C1NC(=O)N)NC(=O)N
InChI
InChI=1S/C8H10N4O2/c9-7(13)11-5-1-2-6(4-3-5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)
InChIKey
DPRNGQDPBFKLCK-UHFFFAOYSA-N
Synonyms
1,1'-(1,4-Phenylene)diurea [4-(carbamoylamino)phenyl]urea 1,4-diureidobenzene 1,4-Phenylenediurea (4-ureidophenyl)urea

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
4
Molar refractivity
52.85
TPSA
110.24

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
-0.1
Consensus LogP
0.39
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

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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