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CAS 75389-89-8 Detda. molecular structure lightbox
CAS RN: 75389-89-8

Detda.

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250106 1kg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260205 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250115 500g In stock Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS75389-89-8
  • Purity/Analytical Methods: >99.0%
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75389-89-8 / 4,6-diethyl-2-methylbenzene-1,3-diamine

Standard CAS: 75389-89-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75389-89-8
Multi CAS
Yes
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
InChI
InChI=1S/2C11H18N2/c1-4-8-6-9(5-2)11(13)7(3)10(8)12;1-4-8-6-7(3)10(12)9(5-2)11(8)13/h2*6H,4-5,12-13H2,1-3H3
InChIKey
HGXVKAPCSIXGAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.76
TPSA
52.04

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.5
Consensus LogP
2.26
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.19

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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