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CAS 512186-38-8 Boronic acid, (4-fluoro-2,6-dimethoxyphenyl)- (9CI) molecular structure lightbox
CAS RN: 512186-38-8

Boronic acid, (4-fluoro-2,6-dimethoxyphenyl)- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS512186-38-8
  • Purity/Analytical Methods: >99.0%
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512186-38-8 / (4-fluoro-2,6-dimethoxyphenyl)boronic acid

Standard CAS: 512186-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
512186-38-8
Multi CAS
No
Molecular Formula
BC8FH10O4
Molecular Weight
199.970000
Exact Mass
200.065617
InChI
InChI=1S/C8H10BFO4/c1-13-6-3-5(10)4-7(14-2)8(6)9(11)12/h3-4,11-12H,1-2H3
InChIKey
QUFXJRGXNFZZGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.33
TPSA
58.92

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.42
XLogP3
-0.48
Consensus LogP
-0.46
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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