CAS RN: 260354-12-9
3-CHLORO-1-(2-THIENYL)-1-PROPANOL
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.20260421 | 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS260354-12-9
- Purity/Analytical Methods: >99.0%
260354-12-9 / 3-chloro-1-thiophen-2-ylpropan-1-ol
Basic Information
CAS
260354-12-9
Multi CAS
No
Molecular Formula
C7H9ClOS
Molecular Weight
176.660000
Exact Mass
176.006264
SMILES
C1=CSC(=C1)C(CCCl)O
InChI
InChI=1S/C7H9ClOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2
InChIKey
YISRPYKYTBBHBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.62
TPSA
20.23
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
1.7
Consensus LogP
2.08
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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