CAS RN: 1864015-49-5
4-bromothiophen-3-amine 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.20251005 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1864015-49-5
- Purity/Analytical Methods: >99.0%
1864015-49-5 / 4-bromothiophen-3-amine;hydrochloride
Basic Information
CAS
1864015-49-5
Multi CAS
No
Molecular Formula
C4H5BrClNS
Molecular Weight
214.510000
Exact Mass
212.901460
SMILES
C1=C(C(=CS1)Br)N.Cl
InChI
InChI=1S/C4H4BrNS.ClH/c5-3-1-7-2-4(3)6;/h1-2H,6H2;1H
InChIKey
WPEBCMRYBQKBBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.68
TPSA
26.02
LogP / Solubility
WLOGP
2.51
MLOGP
2.21
XLogP3
2.51
Consensus LogP
2.41
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.24
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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