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CAS 1213092-51-3 (3R)-7-BROMO-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE molecular structure lightbox
CAS RN: 1213092-51-3

(3R)-7-BROMO-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 100mg Out of stock 8-10 business days Inquiry
Batchno.20260318 100mg Out of stock Inquiry
Batchno.20250218 1g Out of stock Inquiry
Batchno.20251024 250mg Out of stock Inquiry
  • Product code: starshine_CAS1213092-51-3
  • Purity/Analytical Methods: >99.0%
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1213092-51-3 / (3R)-7-bromo-2,3-dihydro-1-benzofuran-3-amine

(3S)-7-bromo-2,3-dihydro-1-benzofuran-3-amine | (S)-7-Bromo-2,3-dihydrobenzofuran-3-amine | MFCD14562133

Standard CAS: 1213092-51-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213092-51-3
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/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3,7H,4,10H2/t7-/m0/s1
InChIKey
PYXLHRQWAAAYSM-ZETCQYMHSA-N
Synonyms
(3S)-7-bromo-2,3-dihydro-1-benzofuran-3-amine (S)-7-Bromo-2,3-dihydrobenzofuran-3-amine MFCD14562133 SCHEMBL10010329 DTXSID501268529

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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