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CAS 893744-01-9 5-(morpholinomethyl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 893744-01-9

5-(morpholinomethyl)thiophene-2-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS893744-01-9
  • Purity/Analytical Methods: >99.0%
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893744-01-9 / 5-(morpholin-4-ylmethyl)thiophene-2-carbaldehyde

Standard CAS: 893744-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893744-01-9
Multi CAS
No
Molecular Formula
C10H13NO2S
Molecular Weight
211.280000
Exact Mass
211.066700
InChI
InChI=1S/C10H13NO2S/c12-8-10-2-1-9(14-10)7-11-3-5-13-6-4-11/h1-2,8H,3-7H2
InChIKey
YPXGCMYNDMFOHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
55.8
TPSA
29.54

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
0.9
Consensus LogP
1.17
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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