[email protected]
CAS 1190989-09-3 (3,5-Difluoro-4-(Methoxycarbonyl)phenyl)boronic acid molecular structure lightbox
CAS RN: 1190989-09-3

(3,5-Difluoro-4-(Methoxycarbonyl)phenyl)boronic acid

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260309 100mg In stock Inquiry
Batchno.20260604 1g In stock Inquiry
Batchno.20251111 250mg In stock Inquiry
Batchno.20260506 5g In stock Inquiry
  • Product code: SSC-019565
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1190989-09-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

1190989-09-3 / (3,5-difluoro-4-methoxycarbonylphenyl)boronic acid

(3,5-Difluoro-4-(methoxycarbonyl)phenyl)boronic acid | [3,5-Difluoro-4-(methoxycarbonyl)phenyl]boronic acid | DTXSID801283306

Standard CAS: 1190989-09-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1190989-09-3
Multi CAS
No
Molecular Formula
C8H7BF2O4
Molecular Weight
215.950000
Exact Mass
216.040545
SMILES
B(C1=CC(=C(C(=C1)F)C(=O)OC)F)(O)O
InChI
InChI=1S/C8H7BF2O4/c1-15-8(12)7-5(10)2-4(9(13)14)3-6(7)11/h2-3,13-14H,1H3
InChIKey
DFSQCSAZKURRRE-UHFFFAOYSA-N
Synonyms
(3,5-Difluoro-4-(methoxycarbonyl)phenyl)boronic acid [3,5-Difluoro-4-(methoxycarbonyl)phenyl]boronic acid DTXSID801283306 1-Methyl 4-borono-2,6-difluorobenzoate RefChem:433620

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.52
TPSA
66.76

LogP / Solubility

WLOGP
-0.57
MLOGP
-0.5
XLogP3
-0.57
Consensus LogP
-0.55
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
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)
-4.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us