CAS RN: 1199556-66-5
3-Amino-3-(4-bromophenyl)cyclobutanol
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.20260601 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1199556-66-5
- Purity/Analytical Methods: >99.0%
1199556-66-5 / 3-amino-3-(4-bromophenyl)cyclobutan-1-ol
3-AMINO-3-(4-BROMOPHENYL)CYCLOBUTANOL | 3-amino-3-(4-bromophenyl)cyclobutan-1-ol | MFCD17926245
Basic Information
CAS
1199556-66-5
Multi CAS
Yes
Molecular Formula
C10H12BrNO
Molecular Weight
242.110000
Exact Mass
241.010230
SMILES
C1C(CC1(C2=CC=C(C=C2)Br)N)O
InChI
InChI=1S/C10H12BrNO/c11-8-3-1-7(2-4-8)10(12)5-9(13)6-10/h1-4,9,13H,5-6,12H2
InChIKey
BRHRYGHDIMFVQX-UHFFFAOYSA-N
Synonyms
3-AMINO-3-(4-BROMOPHENYL)CYCLOBUTANOL
3-amino-3-(4-bromophenyl)cyclobutan-1-ol
MFCD17926245
(1S,3S)-3-AMINO-3-(4-BROMOPHENYL)CYCLOBUTAN-1-OL
SCHEMBL1539148
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.25
TPSA
46.25
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.2
Consensus LogP
1.5
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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