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CAS 6005-58-9 2,N-DIHYDROXY-BENZAMIDINE molecular structure lightbox
CAS RN: 6005-58-9

2,N-DIHYDROXY-BENZAMIDINE

  • Product code: SSC-168633
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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 6005-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

6005-58-9 / N',2-dihydroxybenzenecarboximidamide

Standard CAS: 6005-58-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6005-58-9
Multi CAS
Yes
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
InChI
InChI=1S/C7H8N2O2/c8-7(9-11)5-3-1-2-4-6(5)10/h1-4,10-11H,(H2,8,9)
InChIKey
DVAPQSJNIZTABV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
40.62
TPSA
78.84

LogP / Solubility

WLOGP
0.49
MLOGP
0.42
XLogP3
1.5
Consensus LogP
0.8
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.3

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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