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CAS 1185320-10-8 2-Bromo-5-(methyl-d3)-furan molecular structure lightbox
CAS RN: 1185320-10-8

2-Bromo-5-(methyl-d3)-furan

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251114 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: LINB889868
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1185320-10-8 / 2-bromo-5-(trideuteriomethyl)furan

2-Bromo-5-(methyl-d3)-furan | 2-Bromo-5-(methyl-d3)furan | AKOS015944380

Standard CAS: 1185320-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185320-10-8
Multi CAS
No
Molecular Formula
C5H5BrO
Molecular Weight
164.010000
Exact Mass
162.971210
SMILES
[2H]C([2H])([2H])C1=CC=C(O1)Br
InChI
InChI=1S/C5H5BrO/c1-4-2-3-5(6)7-4/h2-3H,1H3/i1D3
InChIKey
VWGRESZTMULPDE-FIBGUPNXSA-N
Synonyms
2-Bromo-5-(methyl-d3)-furan 2-Bromo-5-(methyl-d3)furan AKOS015944380 CS-17697 F92447

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
1
Molar refractivity
31.14
TPSA
13.14

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
1.9
Consensus LogP
2.1
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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