CAS RN: 4553-59-7
PHENYL-PHENYLAMINO-ACETONITRILE
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.20250413 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-153285
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
4553-59-7 / 2-anilino-2-phenylacetonitrile
Basic Information
CAS
4553-59-7
Multi CAS
Yes
Molecular Formula
C14H12N2
Molecular Weight
208.260000
Exact Mass
208.100048
InChI
InChI=1S/C14H12N2/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14,16H
InChIKey
XOMUKMGWTCEDRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.86
TPSA
35.82
LogP / Solubility
WLOGP
3.36
MLOGP
2.96
XLogP3
3.4
Consensus LogP
3.24
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 4553-89-3 disodium 4,4′-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
disodium 4,4′-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate
- CAS RN: 4553-89-3
- Product Code: starshine_CAS4553-89-3
- Purity/Analytical method: >99.0%
-
(4 – vinyl phenyl) dimethyl silane
- CAS RN: 4556-72-3
- Product Code: starshine_CAS4556-72-3
- Purity/Analytical method: >99.0%
-
-
-
-
![CAS 4553-89-3 disodium 4,4′-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4553-89-3.gif)
