CAS RN: 62806-30-8
(10-CYANOMETHYL-ANTHRACEN-9-YL)-ACETONITRILE
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-172160
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
62806-30-8 / 2-[10-(cyanomethyl)anthracen-9-yl]acetonitrile
Basic Information
CAS
62806-30-8
Multi CAS
No
Molecular Formula
C18H12N2
Molecular Weight
256.300000
Exact Mass
256.100048
InChI
InChI=1S/C18H12N2/c19-11-9-17-13-5-1-2-6-14(13)18(10-12-20)16-8-4-3-7-15(16)17/h1-8H,9-10H2
InChIKey
DVOPOFKLZRECLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
80.09
TPSA
47.58
LogP / Solubility
WLOGP
4.13
MLOGP
3.64
XLogP3
4.3
Consensus LogP
4.02
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
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)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 62806-39-7 (E)-3-[5-(4-Nitro-phenyl)-furan-2-yl]-acrylic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(E)-3-[5-(4-Nitro-phenyl)-furan-2-yl]-acrylic acid
- CAS RN: 62806-39-7
- Product Code: SSC-172161
-
-
-
-
-
![CAS 62806-39-7 (E)-3-[5-(4-Nitro-phenyl)-furan-2-yl]-acrylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/62806-39-7.gif)
