CAS RN: 1235643-62-5
(R)-1-(1H-Benzimidazol-2-yl)-3-methylbutylamine Hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250923 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-027307
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: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1235643-62-5 / (1R)-1-(1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
Basic Information
CAS
1235643-62-5
Multi CAS
No
Molecular Formula
C12H18ClN3
Molecular Weight
239.740000
Exact Mass
239.118925
SMILES
CC(C)C[C@H](C1=NC2=CC=CC=C2N1)N.Cl
InChI
InChI=1S/C12H17N3.ClH/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);1H/t9-;/m1./s1
InChIKey
ZXGYOQOVBUHUQG-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.73
TPSA
54.7
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
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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