CAS RN: 7154-31-6
N,N’-diphenylterephthaldiamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7154-31-6
- Purity/Analytical Methods: >99.0%
7154-31-6 / 1-N,4-N-diphenylbenzene-1,4-dicarboxamide
Basic Information
CAS
7154-31-6
Multi CAS
Yes
Molecular Formula
C20H16N2O2
Molecular Weight
316.400000
Exact Mass
316.121178
InChI
InChI=1S/C20H16N2O2/c23-19(21-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(24)22-18-9-5-2-6-10-18/h1-14H,(H,21,23)(H,22,24)
InChIKey
MXHDSBYJGVZESK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.23
TPSA
58.2
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
3.5
Consensus LogP
3.8
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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