CAS RN: 479090-38-5
4-BROMOTHIOPHEN-2-YLMETHYLAMINE
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.20260511 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-154893
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: 0.25g, 1g
- Available purity: ＞97%
- 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.
479090-38-5 / (4-bromothiophen-2-yl)methanamine
Basic Information
CAS
479090-38-5
Multi CAS
Yes
Molecular Formula
BC5H6RnS
Molecular Weight
192.080000
Exact Mass
190.940430
InChI
InChI=1S/C5H6BrNS/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2
InChIKey
XQRUUHBPUXOVPD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.91
TPSA
26.02
LogP / Solubility
WLOGP
1.97
MLOGP
1.73
XLogP3
1.2
Consensus LogP
1.63
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
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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