CAS RN: 56358-46-4
6-broMoMethyl-2-naphthalenecarbonitrile
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.20250104 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56358-46-4
- Purity/Analytical Methods: >99.0%
56358-46-4 / 6-(bromomethyl)naphthalene-2-carbonitrile
Basic Information
CAS
56358-46-4
Multi CAS
No
Molecular Formula
BC12H8Rn
Molecular Weight
246.100000
Exact Mass
244.984010
InChI
InChI=1S/C12H8BrN/c13-7-9-1-3-12-6-10(8-14)2-4-11(12)5-9/h1-6H,7H2
InChIKey
ORUYTMCMDRSBEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
61.29
TPSA
23.79
LogP / Solubility
WLOGP
3.61
MLOGP
3.18
XLogP3
3.4
Consensus LogP
3.4
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
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)
-1.66
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
-
EOSIN B
- CAS RN: 56360-46-4
- Product Code: starshine_CAS56360-46-4
- Purity/Analytical method: >99.0%
-
Capillarisin
- CAS RN: 56365-38-9
- Product Code: starshine_CAS56365-38-9
- Purity/Analytical method: >99.0%
-
-
-
-
