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CAS 199741-78-1 1-(3,5-Dichlorophenyl)-3-(ethoxycarbonyl)urea molecular structure lightbox
CAS RN: 199741-78-1

1-(3,5-Dichlorophenyl)-3-(ethoxycarbonyl)urea

  • Product code: SSC-094016
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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 199741-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

199741-78-1 / ethyl N-[(3,5-dichlorophenyl)carbamoyl]carbamate

Standard CAS: 199741-78-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199741-78-1
Multi CAS
No
Molecular Formula
C10H10Cl2N2O3
Molecular Weight
277.100000
Exact Mass
276.006848
SMILES
CCOC(=O)NC(=O)NC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C10H10Cl2N2O3/c1-2-17-10(16)14-9(15)13-8-4-6(11)3-7(12)5-8/h3-5H,2H2,1H3,(H2,13,14,15,16)
InChIKey
GKRFXIHQSJBJOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.64
TPSA
67.43

LogP / Solubility

WLOGP
3.27
MLOGP
2.89
XLogP3
3.3
Consensus LogP
3.15
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

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

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