CAS RN: 349405-34-1
3-Bromo-N-cyclopentylbenzamide
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.20250425 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS349405-34-1
- Purity/Analytical Methods: >99.0%
349405-34-1 / 3-bromo-N-cyclopentylbenzamide
Basic Information
CAS
349405-34-1
Multi CAS
No
Molecular Formula
BC12H14ORn
Molecular Weight
268.150000
Exact Mass
267.025880
InChI
InChI=1S/C12H14BrNO/c13-10-5-3-4-9(8-10)12(15)14-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2,(H,14,15)
InChIKey
AEACXKKLFRTGSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.86
TPSA
29.1
LogP / Solubility
WLOGP
3.12
MLOGP
2.76
XLogP3
3.2
Consensus LogP
3.03
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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