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CAS 1432058-38-2 1-(3-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid molecular structure lightbox
CAS RN: 1432058-38-2

1-(3-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid

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4 package records0 with current stock1 grade group
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Batchno.20251006 100mg Out of stock Inquiry
Batchno.20251120 100mg / 250mg Out of stock 8-10 business days Inquiry
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Batchno.20250314 250mg Out of stock Inquiry
  • Product code: starshine_CAS1432058-38-2
  • Purity/Analytical Methods: >99.0%
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1432058-38-2 / 1-(3-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid

Standard CAS: 1432058-38-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1432058-38-2
Multi CAS
No
Molecular Formula
C11H11BrO3
Molecular Weight
271.110000
Exact Mass
269.989160
SMILES
C1C(CC1(C2=CC(=CC=C2)Br)C(=O)O)O
InChI
InChI=1S/C11H11BrO3/c12-8-3-1-2-7(4-8)11(10(14)15)5-9(13)6-11/h1-4,9,13H,5-6H2,(H,14,15)
InChIKey
IAHZTSYYWDQBKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.7
TPSA
57.53

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.8
Consensus LogP
1.81
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-3.01

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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