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CAS 38220-77-8 (5-BROMO-1-BENZOFURAN-2-YL)METHANOL molecular structure lightbox
CAS RN: 38220-77-8

(5-BROMO-1-BENZOFURAN-2-YL)METHANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS38220-77-8
  • Purity/Analytical Methods: >99.0%
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38220-77-8 / (5-bromo-1-benzofuran-2-yl)methanol

Standard CAS: 38220-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38220-77-8
Multi CAS
No
Molecular Formula
C9H7BRO2
Molecular Weight
227.050000
Exact Mass
225.962940
InChI
InChI=1S/C9H7BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,11H,5H2
InChIKey
JYYWIDBNICYLBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.84
TPSA
33.37

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.2
Consensus LogP
2.42
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

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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