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CAS 73734-07-3 ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 73734-07-3

ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260421 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS73734-07-3
  • Purity/Analytical Methods: >99.0%
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73734-07-3 / ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate

Standard CAS: 73734-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73734-07-3
Multi CAS
No
Molecular Formula
C15H20N4O2
Molecular Weight
288.340000
Exact Mass
288.158626
InChI
InChI=1S/C15H20N4O2/c1-2-21-15(20)19-9-7-11(8-10-19)16-14-17-12-5-3-4-6-13(12)18-14/h3-6,11H,2,7-10H2,1H3,(H2,16,17,18)
InChIKey
IMLIPHSGYFXWAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
81.33
TPSA
70.25

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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