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CAS 72457-26-2 4-(4-METHOXYPHENYL)BUTAN-1-AMINE molecular structure lightbox
CAS RN: 72457-26-2

4-(4-METHOXYPHENYL)BUTAN-1-AMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250711 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS72457-26-2
  • Purity/Analytical Methods: >99.0%
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72457-26-2 / 4-(4-methoxyphenyl)butan-1-amine

Standard CAS: 72457-26-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72457-26-2
Multi CAS
Yes
Molecular Formula
C11H17NO
Molecular Weight
179.260000
Exact Mass
179.131014
InChI
InChI=1S/C11H17NO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4,9,12H2,1H3
InChIKey
USDPTYHOEKPQAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.99
TPSA
35.25

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.41

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
1.5

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