[email protected]
CAS 1374433-06-3 1,1′:4′,1”-terphenyl]-3,3”,5,5”-tetraamine molecular structure lightbox
CAS RN: 1374433-06-3

1,1′:4′,1”-terphenyl]-3,3”,5,5”-tetraamine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251018 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1374433-06-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1374433-06-3 / 5-[4-(3,5-diaminophenyl)phenyl]benzene-1,3-diamine

Standard CAS: 1374433-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374433-06-3
Multi CAS
No
Molecular Formula
C18H18N4
Molecular Weight
290.400000
Exact Mass
290.153147
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)N)N)C3=CC(=CC(=C3)N)N
InChI
InChI=1S/C18H18N4/c19-15-5-13(6-16(20)9-15)11-1-2-12(4-3-11)14-7-17(21)10-18(22)8-14/h1-10H,19-22H2
InChIKey
NDJJOWVHSZZAJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
94.96
TPSA
104.08

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
2.5
Consensus LogP
2.94
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us