CAS RN: 687639-03-8
N-(3-bromo-4-oxocyclohexyl)acetamide
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.20250216 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS687639-03-8
- Purity/Analytical Methods: >99.0%
687639-03-8 / N-(3-bromo-4-oxocyclohexyl)acetamide
Basic Information
CAS
687639-03-8
Multi CAS
No
Molecular Formula
BC8H12O2Rn
Molecular Weight
234.090000
Exact Mass
233.005140
InChI
InChI=1S/C8H12BrNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h6-7H,2-4H2,1H3,(H,10,11)
InChIKey
WBTGJPGTKKCSKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.18
TPSA
46.17
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
0.7
Consensus LogP
0.87
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
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
2.5
Customers Also Viewed
-
DTBS-GEMCITABINE
- CAS RN: 688009-09-8
- Product Code: starshine_CAS688009-09-8
- Purity/Analytical method: >99.0%
-
1-CBZ-4-(PIPERIDIN-4-YL)-PIPERAZINE
- CAS RN: 688020-80-6
- Product Code: starshine_CAS688020-80-6
- Purity/Analytical method: >99.0%
-
4-Thiazolecarboxylicacid,2-amino-5-methyl-(9CI)
- CAS RN: 688064-14-4
- Product Code: SSC-178485
-
BX 430
- CAS RN: 688309-70-8
- Product Code: starshine_CAS688309-70-8
- Purity/Analytical method: >99.0%
-
-
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)acetamide
- CAS RN: 688335-72-0
- Product Code: starshine_CAS688335-72-0
- Purity/Analytical method: >99.0%
![CAS 688335-72-0 N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/688335-72-0.gif)