[email protected]
CAS 352530-25-7 5-Formyl-4-methylthiophene-2-boronic acid molecular structure lightbox
CAS RN: 352530-25-7

5-Formyl-4-methylthiophene-2-boronic acid

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260113 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260415 1g In stock Shanghai Inquiry
Batchno.20251104 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20251120 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS352530-25-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

352530-25-7 / (5-formyl-4-methylthiophen-2-yl)boronic acid

Standard CAS: 352530-25-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352530-25-7
Multi CAS
No
Molecular Formula
BC6H7O3S
Molecular Weight
170.000000
Exact Mass
170.020895
InChI
InChI=1S/C6H7BO3S/c1-4-2-6(7(9)10)11-5(4)3-8/h2-3,9-10H,1H3
InChIKey
QEIXJCOHLUKRPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.27
TPSA
57.53

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.4
XLogP3
-0.45
Consensus LogP
-0.43
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
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)
-4.08

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

Customers Also Viewed

Get In Touch

Contact Us