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CAS 184685-11-8 (S)-(-)-2-(a-(i-propyl)methanamine)-1H-benzimidazole, min. 98% (S)-i-Pr-BIMAH molecular structure lightbox
CAS RN: 184685-11-8

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

  • Product code: SSC-085376
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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: 5g
  • 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 184685-11-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

184685-11-8 / (1S)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;hydrochloride

Standard CAS: 184685-11-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
184685-11-8
Multi CAS
No
Molecular Formula
C11H16ClN3
Molecular Weight
225.720000
Exact Mass
225.103275
SMILES
CC(C)[C@@H](C1=NC2=CC=CC=C2N1)N.Cl
InChI
InChI=1S/C11H15N3.ClH/c1-7(2)10(12)11-13-8-5-3-4-6-9(8)14-11;/h3-7,10H,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1
InChIKey
CYUBREHSYAXDSI-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.11
TPSA
54.7

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.64
Consensus LogP
2.54
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.22

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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