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CAS 1213452-00-6 (R)-5-Bromo-2,3-dihydro-benzofuran-3-ylamine molecular structure lightbox
CAS RN: 1213452-00-6

(R)-5-Bromo-2,3-dihydro-benzofuran-3-ylamine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-023361
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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: ＞97%
  • 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 1213452-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1213452-00-6 / (3R)-5-bromo-2,3-dihydro-1-benzofuran-3-amine

5-BROMO-2,3-DIHYDRO-3-BENZOFURANAMINE | 5-BROMO-2,3-DIHYDROBENZOFURAN-3-AMINE | 5-bromo-2,3-dihydro-1-benzofuran-3-amine

Standard CAS: 1213452-00-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213452-00-6
Multi CAS
Yes
Molecular Formula
C8H8BrNO
Molecular Weight
214.060000
Exact Mass
212.978930
SMILES
C1[C@@H](C2=C(O1)C=CC(=C2)Br)N
InChI
InChI=1S/C8H8BrNO/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3,7H,4,10H2/t7-/m0/s1
InChIKey
XZTALTPLRPQESS-ZETCQYMHSA-N
Synonyms
5-BROMO-2,3-DIHYDRO-3-BENZOFURANAMINE 5-BROMO-2,3-DIHYDROBENZOFURAN-3-AMINE 5-bromo-2,3-dihydro-1-benzofuran-3-amine 5-BROMO-2,3-DIHYDRO-BENZOFURAN-3-YLAMINE MFCD06738728

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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