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CAS 107947-94-4 1,3-bis(3-chloro-4-methylphenyl)urea molecular structure lightbox
CAS RN: 107947-94-4

1,3-bis(3-chloro-4-methylphenyl)urea

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 100mg In stock Shanghai Inquiry
Batchno.20250323 1g In stock Shanghai Inquiry
Batchno.20260127 250mg In stock Shanghai Inquiry
  • Product code: SSC-009248
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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 107947-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

107947-94-4 / 1,3-bis(3-chloro-4-methylphenyl)urea

1,3-bis(3-chloro-4-methylphenyl)urea | 1,3'-Bis(3-chloro-4-tolyl)urea | N,N'-Bis(3-chloro-4-tolyl)urea

Standard CAS: 107947-94-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107947-94-4
Multi CAS
No
Molecular Formula
C15H14Cl2N2O
Molecular Weight
309.200000
Exact Mass
308.048319
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C)Cl)Cl
InChI
InChI=1S/C15H14Cl2N2O/c1-9-3-5-11(7-13(9)16)18-15(20)19-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H2,18,19,20)
InChIKey
BDKXYSKISJGPRL-UHFFFAOYSA-N
Synonyms
1,3-bis(3-chloro-4-methylphenyl)urea 1,3'-Bis(3-chloro-4-tolyl)urea N,N'-Bis(3-chloro-4-tolyl)urea DTXSID00148335 Urea, N,N'-bis(3-chloro-4-methylphenyl)-

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
85.02
TPSA
41.13

LogP / Solubility

WLOGP
5.25
MLOGP
4.64
XLogP3
5.1
Consensus LogP
5
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501

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