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CAS 1487-28-1 5-Methoxymethyl-thiophene molecular structure lightbox
CAS RN: 1487-28-1

5-Methoxymethyl-thiophene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1487-28-1
  • Purity/Analytical Methods: >99.0%
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1487-28-1 / 2-(methoxymethyl)thiophene

Standard CAS: 1487-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1487-28-1
Multi CAS
No
Molecular Formula
C6H8OS
Molecular Weight
128.190000
Exact Mass
128.029586
SMILES
COCC1=CC=CS1
InChI
InChI=1S/C6H8OS/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3
InChIKey
BMZQEYGEQALEIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
35.03
TPSA
9.23

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
1.4
Consensus LogP
1.65
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.31
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)
-2.16

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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