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 | Shanghai | Inquiry |
883531-07-5 / (5-fluoro-1H-indol-2-yl)methanamine
Basic Information
CAS
883531-07-5
Multi CAS
Yes
Molecular Formula
C9FH9N2
Molecular Weight
164.180000
Exact Mass
164.074976
InChI
InChI=1S/C9H9FN2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,12H,5,11H2
InChIKey
PJOPNLWUFQKDGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
46.15
TPSA
41.81
LogP / Solubility
WLOGP
1.77
MLOGP
1.55
XLogP3
0.6
Consensus LogP
1.31
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.47
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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4-METHOXY-5,6,7,8-TETRAHYDRO-1-NAPHTHALENE-CARBALDEHYDE
- CAS RN: 883531-98-4
- Product Code: SSC-198940
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