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CAS 1211596-34-7 3-(4-broMophenyl)tetrahydrofuran-3-aMine molecular structure lightbox
CAS RN: 1211596-34-7

3-(4-broMophenyl)tetrahydrofuran-3-aMine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1211596-34-7
  • Purity/Analytical Methods: >99.0%
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1211596-34-7 / 3-(4-bromophenyl)oxolan-3-amine

3-(4-Bromophenyl)tetrahydrofuran-3-amine | 3-(4-bromophenyl)oxolan-3-amine | MFCD11109726

Standard CAS: 1211596-34-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1211596-34-7
Multi CAS
Yes
Molecular Formula
C10H12BrNO
Molecular Weight
242.110000
Exact Mass
241.010230
SMILES
C1COCC1(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C10H12BrNO/c11-9-3-1-8(2-4-9)10(12)5-6-13-7-10/h1-4H,5-7,12H2
InChIKey
HCUJKBQOANWEKI-UHFFFAOYSA-N
Synonyms
3-(4-Bromophenyl)tetrahydrofuran-3-amine 3-(4-bromophenyl)oxolan-3-amine MFCD11109726 SCHEMBL19330910 DTXSID60724891

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.44
TPSA
35.25

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
1.3
Consensus LogP
1.7
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-2.76

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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