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CAS 1019631-11-8 7-bromo-2,3-dihydro-1-benzofuran-3-amine molecular structure lightbox
CAS RN: 1019631-11-8

7-bromo-2,3-dihydro-1-benzofuran-3-amine

  • Product code: SSC-003112
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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 1019631-11-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1019631-11-8 / 7-bromo-2,3-dihydro-1-benzofuran-3-amine

7-bromo-2,3-dihydro-1-benzofuran-3-amine | 7-bromo-2,3-dihydrobenzofuran-3-amine | MFCD11137734

Standard CAS: 1019631-11-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1019631-11-8
Multi CAS
No
Molecular Formula
C8H8BrNO
Molecular Weight
214.060000
Exact Mass
212.978930
SMILES
C1C(C2=C(O1)C(=CC=C2)Br)N
InChI
InChI=1S/C8H8BrNO/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3,7H,4,10H2
InChIKey
PYXLHRQWAAAYSM-UHFFFAOYSA-N
Synonyms
7-bromo-2,3-dihydro-1-benzofuran-3-amine 7-bromo-2,3-dihydrobenzofuran-3-amine MFCD11137734 SCHEMBL1708191 SCHEMBL30601533

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.57
TPSA
35.25

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
1.3
Consensus LogP
1.59
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.72

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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