CAS RN: 141811-49-6
2-(3-bromothiophen-2-yl)ethanol
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.20251112 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS141811-49-6
- Purity/Analytical Methods: >99.0%
141811-49-6 / 2-(3-bromothiophen-2-yl)ethanol
Basic Information
CAS
141811-49-6
Multi CAS
No
Molecular Formula
C6H7BrOS
Molecular Weight
207.090000
Exact Mass
205.940100
SMILES
C1=CSC(=C1Br)CCO
InChI
InChI=1S/C6H7BrOS/c7-5-2-4-9-6(5)1-3-8/h2,4,8H,1,3H2
InChIKey
KCZAFTAJOFCEPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.81
TPSA
20.23
LogP / Solubility
WLOGP
2.05
MLOGP
1.8
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
ALPHA-L-ERYTHRO-PENTOFURANOSYL CHLORIDE-2-DEOXY-BIS(4-METHYL BENZOATE)
- CAS RN: 141846-57-3
- Product Code: starshine_CAS141846-57-3
- Purity/Analytical method: >99.0%
-
6-(BROMOMETHYL)-2-METHYLQUINOLINE
- CAS RN: 141848-60-4
- Product Code: starshine_CAS141848-60-4
- Purity/Analytical method: >99.0%
-
1-N-BOC-(2R,4R)-4-HYDROXY-2-(HYDROXYMETHYL) PYRROLIDINE
- CAS RN: 141850-54-6
- Product Code: SSC-052558
-
Methyl 2-(4-benzylpiperazin-2-yl)acetate 2HCl
- CAS RN: 141856-12-4
- Product Code: starshine_CAS141856-12-4
- Purity/Analytical method: >99.0%
-
2-(DIMETHYLAMINO)-4-(TRIFLUOROMETHYL)-6H-1,3-OXAZIN-6-ONE
- CAS RN: 141860-79-9
- Product Code: SSC-052561