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CAS 52304-09-3 N,N’-diforMyl-1,4-phenylenediaMine molecular structure lightbox
CAS RN: 52304-09-3

N,N’-diforMyl-1,4-phenylenediaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS52304-09-3
  • Purity/Analytical Methods: >99.0%
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52304-09-3 / 2-butyldecanoic acid

Standard CAS: 52304-09-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52304-09-3
Multi CAS
No
Molecular Formula
C14H28O2
Molecular Weight
228.370000
Exact Mass
228.208930
InChI
InChI=1S/C14H28O2/c1-3-5-7-8-9-10-12-13(14(15)16)11-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)
InChIKey
AVZVXSXEVJTJAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.64
TPSA
37.3

LogP / Solubility

WLOGP
4.63
MLOGP
4.08
XLogP3
5.4
Consensus LogP
4.7
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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