[email protected]
CAS 30405-78-8 4,4′-(Buta-1,3-diyne-1,4-diyl)dianiline molecular structure lightbox
CAS RN: 30405-78-8

4,4′-(Buta-1,3-diyne-1,4-diyl)dianiline

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250523 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250602 250mg In stock Shanghai Inquiry
Batchno.20250930 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250721 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: LINB887431
GET A QUOTE

30405-78-8 / 4-[4-(4-aminophenyl)buta-1,3-diynyl]aniline

Standard CAS: 30405-78-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30405-78-8
Multi CAS
No
Molecular Formula
C16H12N2
Molecular Weight
232.280000
Exact Mass
232.100048
InChI
InChI=1S/C16H12N2/c17-15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(18)12-8-14/h5-12H,17-18H2
InChIKey
AXKIEAUPICVIPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75.46
TPSA
52.04

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
3
Consensus LogP
2.41
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

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

Customers Also Viewed

Get In Touch

Contact Us