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CAS 4251-01-8 N,N’-bis(1-methylethyl)benzene-1,4-diamine molecular structure lightbox
CAS RN: 4251-01-8

N,N’-bis(1-methylethyl)benzene-1,4-diamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250710 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS4251-01-8
  • Purity/Analytical Methods: >99.0%
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4251-01-8 / 1-N,4-N-di(propan-2-yl)benzene-1,4-diamine

Standard CAS: 4251-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4251-01-8
Multi CAS
No
Molecular Formula
C12H20N2
Molecular Weight
192.300000
Exact Mass
192.162649
InChI
InChI=1S/C12H20N2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-10,13-14H,1-4H3
InChIKey
PWNBRRGFUVBTQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.96
TPSA
24.06

LogP / Solubility

WLOGP
3.33
MLOGP
2.93
XLogP3
3.5
Consensus LogP
3.25
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

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

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