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CAS 22175-22-0 1-(3-CHLORO-4-METHYLPHENYL)-3-METHYLUREA molecular structure lightbox
CAS RN: 22175-22-0

1-(3-CHLORO-4-METHYLPHENYL)-3-METHYLUREA

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-106668
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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 22175-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

22175-22-0 / 1-(3-chloro-4-methylphenyl)-3-methylurea

Standard CAS: 22175-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22175-22-0
Multi CAS
No
Molecular Formula
C9H11ClN2O
Molecular Weight
198.650000
Exact Mass
198.055991
SMILES
CC1=C(C=C(C=C1)NC(=O)NC)Cl
InChI
InChI=1S/C9H11ClN2O/c1-6-3-4-7(5-8(6)10)12-9(13)11-2/h3-5H,1-2H3,(H2,11,12,13)
InChIKey
GUMFWXBSFOHZDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
54.27
TPSA
41.13

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.23

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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