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CAS 1150114-72-9 4-Bromo-5-chlorothiophene-2-boronic acid molecular structure lightbox
CAS RN: 1150114-72-9

4-Bromo-5-chlorothiophene-2-boronic acid

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 100mg In stock Shanghai Inquiry
Batchno.20260701 1g In stock Shanghai Inquiry
Batchno.20260518 250mg In stock Shanghai Inquiry
Batchno.20250715 25g Out of stock Inquiry
Batchno.20260212 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1150114-72-9
  • Purity/Analytical Methods: >99.0%
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1150114-72-9 / (4-bromo-5-chlorothiophen-2-yl)boronic acid

(4-Bromo-5-chlorothiophen-2-yl)boronic acid | 4-BROMO-5-CHLOROTHIOPHENE-2-BORONIC ACID | MFCD12025986

Standard CAS: 1150114-72-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150114-72-9
Multi CAS
No
Molecular Formula
C4H3BBrClO2S
Molecular Weight
241.300000
Exact Mass
239.881870
SMILES
B(C1=CC(=C(S1)Cl)Br)(O)O
InChI
InChI=1S/C4H3BBrClO2S/c6-2-1-3(5(8)9)10-4(2)7/h1,8-9H
InChIKey
KQCBZQPAPDRGEM-UHFFFAOYSA-N
Synonyms
(4-Bromo-5-chlorothiophen-2-yl)boronic acid 4-BROMO-5-CHLOROTHIOPHENE-2-BORONIC ACID MFCD12025986 Boronic acid, B-(4-bromo-5-chloro-2-thienyl)- (4-Bromo-5-chlorothiophen-2-yl)boronicacid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.85
TPSA
40.46

LogP / Solubility

WLOGP
0.84
MLOGP
0.75
XLogP3
0.84
Consensus LogP
0.81
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-3.59

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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