CAS RN: 452365-99-0
N-(3-bromophenyl)cyclohexanecarboxamide
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.20260315 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS452365-99-0
- Purity/Analytical Methods: >99.0%
452365-99-0 / N-(3-bromophenyl)cyclohexanecarboxamide
Basic Information
CAS
452365-99-0
Multi CAS
No
Molecular Formula
BC13H16ORn
Molecular Weight
282.180000
Exact Mass
281.041530
InChI
InChI=1S/C13H16BrNO/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,15,16)
InChIKey
CRWRDUYMNRPRFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.35
TPSA
29.1
LogP / Solubility
WLOGP
3.97
MLOGP
3.5
XLogP3
4.4
Consensus LogP
3.96
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
- CAS RN: 452967-40-7
- Product Code: SSC-153061
-
6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
- CAS RN: 452967-47-4
- Product Code: SSC-153062
-
Imidazo[1,2-a]pyridin-2-yl-methylamine dihydrochloride
- CAS RN: 452967-56-5
- Product Code: starshine_CAS452967-56-5
- Purity/Analytical method: >99.0%
-
![CAS 452967-40-7 6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452967-40-7.gif)
![CAS 452967-47-4 6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452967-47-4.gif)
![CAS 452967-56-5 Imidazo[1,2-a]pyridin-2-yl-methylamine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452967-56-5.gif)
