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CAS 57055-82-0 4-(4-Morpholinobutylthio)phenol molecular structure lightbox
CAS RN: 57055-82-0

4-(4-Morpholinobutylthio)phenol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS57055-82-0
  • Purity/Analytical Methods: >99.0%
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57055-82-0 / 4-(4-morpholin-4-ylbutylsulfanyl)phenol

Standard CAS: 57055-82-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57055-82-0
Multi CAS
Yes
Molecular Formula
C14H21NO2S
Molecular Weight
267.390000
Exact Mass
267.129300
InChI
InChI=1S/C14H21NO2S/c16-13-3-5-14(6-4-13)18-12-2-1-7-15-8-10-17-11-9-15/h3-6,16H,1-2,7-12H2
InChIKey
YHKNLUTUXZDOQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.32
TPSA
32.7

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.5
Consensus LogP
2.46
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

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

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