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CAS 70590-32-8 N-(5-CHLORO-1H-BENZIMIDAZOL-2-YL)GUANIDINE molecular structure lightbox
CAS RN: 70590-32-8

N-(5-CHLORO-1H-BENZIMIDAZOL-2-YL)GUANIDINE

  • Product code: SSC-180334
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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 70590-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

70590-32-8 / 2-(6-chloro-1H-benzimidazol-2-yl)guanidine

Standard CAS: 70590-32-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70590-32-8
Multi CAS
No
Molecular Formula
C8H8CLN5
Molecular Weight
209.630000
Exact Mass
209.046823
InChI
InChI=1S/C8H8ClN5/c9-4-1-2-5-6(3-4)13-8(12-5)14-7(10)11/h1-3H,(H5,10,11,12,13,14)
InChIKey
IFYPQHGXCVZZMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
56.57
TPSA
93.08

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

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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