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CAS 297756-32-2 1H-BenziMidazole-1-carboxylicacid,6-aMino-,1,1-diMethylethylester molecular structure lightbox
CAS RN: 297756-32-2

1H-BenziMidazole-1-carboxylicacid,6-aMino-,1,1-diMethylethylester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS297756-32-2
  • Purity/Analytical Methods: >99.0%
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297756-32-2 / tert-butyl 6-aminobenzimidazole-1-carboxylate

Standard CAS: 297756-32-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
297756-32-2
Multi CAS
No
Molecular Formula
C12H15N3O2
Molecular Weight
233.270000
Exact Mass
233.116427
InChI
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-7-14-9-5-4-8(13)6-10(9)15/h4-7H,13H2,1-3H3
InChIKey
ZMEJJWSYTVJMST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.78
TPSA
70.14

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2
Consensus LogP
2.17
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

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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