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CAS 352525-99-6 5-PROPIONYL-2-THIOPHENEBORONIC ACID molecular structure lightbox
CAS RN: 352525-99-6

5-PROPIONYL-2-THIOPHENEBORONIC ACID

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260513 100mg In stock Shanghai Inquiry
Batchno.20251103 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250114 1g In stock Shanghai Inquiry
Batchno.20250506 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS352525-99-6
  • Purity/Analytical Methods: >99.0%
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352525-99-6 / (5-propanoylthiophen-2-yl)boronic acid

Standard CAS: 352525-99-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352525-99-6
Multi CAS
Yes
Molecular Formula
BC7H9O3S
Molecular Weight
184.030000
Exact Mass
184.036546
InChI
InChI=1S/C7H9BO4S/c1-2-12-7(9)5-3-4-6(13-5)8(10)11/h3-4,10-11H,2H2,1H3
InChIKey
QEBDDYBJDARVJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.77
TPSA
57.53

LogP / Solubility

WLOGP
0.02
MLOGP
0.02
XLogP3
0.02
Consensus LogP
0.02
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
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)
-3.83

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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