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CAS 84104-30-3 (R)-4-(Methylsulfinyl)-1-butylaMine molecular structure lightbox
CAS RN: 84104-30-3

(R)-4-(Methylsulfinyl)-1-butylaMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS84104-30-3
  • Purity/Analytical Methods: >99.0%
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84104-30-3 / 4-methylsulfinylbutan-1-amine

Standard CAS: 84104-30-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84104-30-3
Multi CAS
Yes
Molecular Formula
C5H13NOS
Molecular Weight
135.230000
Exact Mass
135.071785
InChI
InChI=1S/C5H13NOS/c1-8(7)5-3-2-4-6/h2-6H2,1H3/t8-/m1/s1
InChIKey
FRRCFKLOPJSLMF-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.22
TPSA
43.09

LogP / Solubility

WLOGP
0.1
MLOGP
0.08
XLogP3
-0.9
Consensus LogP
-0.24
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
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)
-3.47

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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