CAS RN: 40780-08-3
Benzene, 1-bromo-4-(1-methylcyclopropyl)-
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.20260227 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40780-08-3
- Purity/Analytical Methods: >99.0%
40780-08-3 / 1-bromo-4-(1-methylcyclopropyl)benzene
Basic Information
CAS
40780-08-3
Multi CAS
No
Molecular Formula
C10H11BR
Molecular Weight
211.100000
Exact Mass
210.004410
InChI
InChI=1S/C10H11Br/c1-10(6-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKey
AEWSCKXHKZOLMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
Molar refractivity
50.73
TPSA
0.0000
LogP / Solubility
WLOGP
3.5
MLOGP
3.08
XLogP3
4.1
Consensus LogP
3.56
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
