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CAS 622-34-4 phenylcyanamide molecular structure lightbox
CAS RN: 622-34-4

phenylcyanamide

  • Product code: SSC-171268
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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 622-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

622-34-4 / phenylcyanamide

Standard CAS: 622-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
622-34-4
Multi CAS
Yes
Molecular Formula
C7H6N2
Molecular Weight
118.140000
Exact Mass
118.053098
InChI
InChI=1S/C7H6N2/c8-6-9-7-4-2-1-3-5-7/h1-5,9H
InChIKey
JLXXLCJERIYMQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.68
TPSA
35.82

LogP / Solubility

WLOGP
1.58
MLOGP
1.38
XLogP3
1.9
Consensus LogP
1.62
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-2.32

Drug-likeness / Medicinal Chemistry

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

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