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CAS 6299-42-9 1-naphthalen-2-yl-3-phenyl-urea molecular structure lightbox
CAS RN: 6299-42-9

1-naphthalen-2-yl-3-phenyl-urea

  • Product code: SSC-172441
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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 6299-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

6299-42-9 / 1-naphthalen-2-yl-3-phenylurea

Standard CAS: 6299-42-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6299-42-9
Multi CAS
Yes
Molecular Formula
C17H14N2O
Molecular Weight
262.300000
Exact Mass
262.110613
InChI
InChI=1S/C17H14N2O/c20-17(18-15-8-2-1-3-9-15)19-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,18,19,20)
InChIKey
MLWGGCOCOBXOFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
83.03
TPSA
41.13

LogP / Solubility

WLOGP
4.48
MLOGP
3.95
XLogP3
3.7
Consensus LogP
4.04
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

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

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