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CAS 1056933-69-7 1-(1H-BENZIMIDAZOL-6-YL)Cyclopropanecarboxylic acid molecular structure lightbox
CAS RN: 1056933-69-7

1-(1H-BENZIMIDAZOL-6-YL)Cyclopropanecarboxylic acid

  • Product code: SSC-007408
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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 1056933-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1056933-69-7 / 1-(3H-benzimidazol-5-yl)cyclopropane-1-carboxylic acid

1-(1h-benzimidazol-6-yl)cyclopropanecarboxylic acid | MFCD23703545 | 1-(1H-Benzimidazol-6-yl)cyclopropane-carboxylic acid

Standard CAS: 1056933-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1056933-69-7
Multi CAS
No
Molecular Formula
C11H10N2O2
Molecular Weight
202.210000
Exact Mass
202.074228
SMILES
C1CC1(C2=CC3=C(C=C2)N=CN3)C(=O)O
InChI
InChI=1S/C11H10N2O2/c14-10(15)11(3-4-11)7-1-2-8-9(5-7)13-6-12-8/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)
InChIKey
HVCJDJBLQHCTFY-UHFFFAOYSA-N
Synonyms
1-(1h-benzimidazol-6-yl)cyclopropanecarboxylic acid MFCD23703545 1-(1H-Benzimidazol-6-yl)cyclopropane-carboxylic acid 1-(1H-Benzo[d]imidazol-6-yl)cyclopropanecarboxylic acid 1-(1H-Benzimidazol-6-yl)-cyclopropanecarboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.64
TPSA
65.98

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.3
Consensus LogP
1.49
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

Drug-likeness / Medicinal Chemistry

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

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