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CAS 59592-31-3 (S)-(-)-2-(a-(i-butyl)methanamine)-1H-benzimidazole, min. 98% (S)-i-Bu-BIMAH molecular structure lightbox
CAS RN: 59592-31-3

(S)-(-)-2-(a-(i-butyl)methanamine)-1H-benzimidazole, min. 98% (S)-i-Bu-BIMAH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-168093
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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 59592-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

59592-31-3 / 1-(1H-benzimidazol-2-yl)-3-methylbutan-1-amine

Standard CAS: 59592-31-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59592-31-3
Multi CAS
Yes
Molecular Formula
C12H17N3
Molecular Weight
203.280000
Exact Mass
203.142248
InChI
InChI=1S/C12H17N3/c1-8(2)7-9(13)12-14-10-5-3-4-6-11(10)15-12/h3-6,8-9H,7,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKey
NZXOCEISVOCBCD-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.48
TPSA
54.7

LogP / Solubility

WLOGP
2.61
MLOGP
2.3
XLogP3
2.4
Consensus LogP
2.44
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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