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CAS 27230-58-6 (5-bromofuran-2-yl)methanol molecular structure lightbox
CAS RN: 27230-58-6

(5-bromofuran-2-yl)methanol

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Batchno.20260621 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS27230-58-6
  • Purity/Analytical Methods: >99.0%
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27230-58-6 / (5-bromofuran-2-yl)methanol

Standard CAS: 27230-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27230-58-6
Multi CAS
No
Molecular Formula
C5H5BRO2
Molecular Weight
177.000000
Exact Mass
175.947290
InChI
InChI=1S/C5H5BrO2/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2
InChIKey
CFLMVPYEVZXIED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.33
TPSA
33.37

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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