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CAS 90133-93-0 N,N-BIS(N-BUTYL)-4-IODOANILINE molecular structure lightbox
CAS RN: 90133-93-0

N,N-BIS(N-BUTYL)-4-IODOANILINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250221 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS90133-93-0
  • Purity/Analytical Methods: >99.0%
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90133-93-0 / N,N-dibutyl-4-iodoaniline

Standard CAS: 90133-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90133-93-0
Multi CAS
No
Molecular Formula
C14H22In
Molecular Weight
331.240000
Exact Mass
331.079700
InChI
InChI=1S/C14H22IN/c1-3-5-11-16(12-6-4-2)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKey
QXKOAHSVQJZHGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
81.19
TPSA
3.24

LogP / Solubility

WLOGP
4.7
MLOGP
4.15
XLogP3
5.2
Consensus LogP
4.68
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

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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