CAS RN: 767359-25-1
2-(2-Bromophenyl)cyclopropanecarboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251105 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB892923
767359-25-1 / 2-(2-bromophenyl)cyclopropane-1-carboxylic acid
Basic Information
CAS
767359-25-1
Multi CAS
No
Molecular Formula
C10H9BRO2
Molecular Weight
241.080000
Exact Mass
239.978590
InChI
InChI=1S/C10H9BrO2/c11-9-4-2-1-3-6(9)7-5-8(7)10(12)13/h1-4,7-8H,5H2,(H,12,13)
InChIKey
SJXGNJABBYVEHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.63
TPSA
37.3
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.3
Consensus LogP
2.42
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
(2-(2-methyl-2H-tetrazol-5-yl)pyridyl-5-yl)(pinacolato)boron
- CAS RN: 1056039-83-8
- Product Code: SSC-007323
-
-
-
-
