[email protected]
CAS 352535-88-7 (3-CHLORO-2-FLUORO-5-METHYLPHENYL)BORONIC ACID molecular structure lightbox
CAS RN: 352535-88-7

(3-CHLORO-2-FLUORO-5-METHYLPHENYL)BORONIC ACID

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251020 100mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250812 1g In stock Tianjin Inquiry
Batchno.20260325 250mg In stock Wuhan Inquiry
Batchno.20260202 5g Out of stock Inquiry
  • Product code: starshine_CAS352535-88-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

352535-88-7 / (3-chloro-2-fluoro-5-methylphenyl)boronic acid

Standard CAS: 352535-88-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352535-88-7
Multi CAS
No
Molecular Formula
C7H7BCLFO2
Molecular Weight
188.390000
Exact Mass
188.021166
InChI
InChI=1S/C7H7BClFO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,11-12H,1H3
InChIKey
BMTZFSDVTSWLLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.97
TPSA
40.46

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
0.47
Consensus LogP
0.45
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-3.54

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