CAS RN: 1032350-05-2
1-(4-bromophenyl)cyclobutane-1-carboxamide
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.20250214 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1032350-05-2
- Purity/Analytical Methods: >99.0%
1032350-05-2 / 1-(4-bromophenyl)cyclobutane-1-carboxamide
1-(4-bromophenyl)cyclobutanecarboxamide | 1-(4-bromophenyl)cyclobutane-1-carboxamide | MFCD20527724
Basic Information
CAS
1032350-05-2
Multi CAS
No
Molecular Formula
C11H12BrNO
Molecular Weight
254.120000
Exact Mass
253.010230
SMILES
C1CC(C1)(C2=CC=C(C=C2)Br)C(=O)N
InChI
InChI=1S/C11H12BrNO/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H2,13,14)
InChIKey
YNCWKWDEZAQFLC-UHFFFAOYSA-N
Synonyms
1-(4-bromophenyl)cyclobutanecarboxamide
1-(4-bromophenyl)cyclobutane-1-carboxamide
MFCD20527724
1-(4-Bromo-phenyl)-cyclobutanecarboxylic acid amide
1-(4-bromophenyl)cyclobutanecarboxylic acid amide
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.87
TPSA
43.09
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
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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