CAS RN: 1313392-39-0
5-bromothiophen-2-ol
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.20251206 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1313392-39-0
- Purity/Analytical Methods: >99.0%
1313392-39-0 / 5-bromothiophen-2-ol
Basic Information
CAS
1313392-39-0
Multi CAS
No
Molecular Formula
C4H3BrOS
Molecular Weight
179.040000
Exact Mass
177.908800
SMILES
C1=C(SC(=C1)Br)O
InChI
InChI=1S/C4H3BrOS/c5-3-1-2-4(6)7-3/h1-2,6H
InChIKey
JAKVDAWKIXMPHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.68
TPSA
20.23
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
2.6
Consensus LogP
2.26
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
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)
-2.24
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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