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CAS 796848-79-8 1-(2-chloro-4-hydroxyphenyl)-3-cyclopropylurea molecular structure lightbox
CAS RN: 796848-79-8

1-(2-chloro-4-hydroxyphenyl)-3-cyclopropylurea

  • Product code: SSC-188783
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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: 10g
  • Available purity: ＞97%
  • 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 796848-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

796848-79-8 / 1-(2-chloro-4-hydroxyphenyl)-3-cyclopropylurea

Standard CAS: 796848-79-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
796848-79-8
Multi CAS
Yes
Molecular Formula
C10H11CLN2O2
Molecular Weight
226.660000
Exact Mass
226.050905
InChI
InChI=1S/C10H11ClN2O2/c11-8-5-7(14)3-4-9(8)13-10(15)12-6-1-2-6/h3-6,14H,1-2H2,(H2,12,13,15)
InChIKey
QVPZNUIZEVRITP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
58.29
TPSA
61.36

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
1.6
Consensus LogP
1.99
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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