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CAS 197577-35-8 (5-BroMo-2,3-dihydrobenzofuran-2-yl)Methanol molecular structure lightbox
CAS RN: 197577-35-8

(5-BroMo-2,3-dihydrobenzofuran-2-yl)Methanol

  • Product code: SSC-093164
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 197577-35-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

197577-35-8 / (5-bromo-1,3-dihydro-2-benzofuran-1-yl)methanol

Standard CAS: 197577-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197577-35-8
Multi CAS
No
Molecular Formula
C9H9BrO2
Molecular Weight
229.070000
Exact Mass
227.978590
SMILES
C1C2=C(C=CC(=C2)Br)C(O1)CO
InChI
InChI=1S/C9H9BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8,11H,4-5H2
InChIKey
COPLPYBSTHRUPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.76
TPSA
29.46

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.2
Consensus LogP
1.66
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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