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CAS 66356-53-4 5-[[(2-Aminoethyl)thio]methyl]-N,N-dimethyl-2-furfurylamine molecular structure lightbox
CAS RN: 66356-53-4

5-[[(2-Aminoethyl)thio]methyl]-N,N-dimethyl-2-furfurylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260509 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS66356-53-4
  • Purity/Analytical Methods: >99.0%
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66356-53-4 / 2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine

Standard CAS: 66356-53-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66356-53-4
Multi CAS
Yes
Molecular Formula
C10H18N2OS
Molecular Weight
214.330000
Exact Mass
214.113984
InChI
InChI=1S/C10H18N2OS/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11/h3-4H,5-8,11H2,1-2H3
InChIKey
JFGCGQJHMUYGLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.32
TPSA
42.4

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
-1
Consensus LogP
0.63
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.94

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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