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CAS 1363383-08-7 1-(5-Chloro-thiophen-3-yl)ethanol molecular structure lightbox
CAS RN: 1363383-08-7

1-(5-Chloro-thiophen-3-yl)ethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1363383-08-7
  • Purity/Analytical Methods: >99.0%
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1363383-08-7 / 1-(5-chlorothiophen-3-yl)ethanol

Standard CAS: 1363383-08-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1363383-08-7
Multi CAS
No
Molecular Formula
C6H7ClOS
Molecular Weight
162.640000
Exact Mass
161.990614
SMILES
CC(C1=CSC(=C1)Cl)O
InChI
InChI=1S/C6H7ClOS/c1-4(8)5-2-6(7)9-3-5/h2-4,8H,1H3
InChIKey
XROBASKSBLIYFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.96
TPSA
20.23

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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