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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
4499-10-9 / 2-(4-chloro-1H-benzimidazol-2-yl)ethanamine
Basic Information
CAS
4499-10-9
Multi CAS
No
Molecular Formula
C9H10CLN3
Molecular Weight
195.650000
Exact Mass
195.056325
InChI
InChI=1S/C9H10ClN3/c10-6-2-1-3-7-9(6)13-8(12-7)4-5-11/h1-3H,4-5,11H2,(H,12,13)
InChIKey
GRJXQPACULQYJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.86
TPSA
54.7
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 4488-43-1
- Product Code: starshine_CAS4488-43-1
- Purity/Analytical method: >99.0%
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