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CAS 874289-59-5 2-FLUORO-5-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 874289-59-5

2-FLUORO-5-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-197381
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 874289-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

874289-59-5 / [2-fluoro-5-[methoxy(methyl)carbamoyl]phenyl]boronic acid

Standard CAS: 874289-59-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874289-59-5
Multi CAS
Yes
Molecular Formula
BC9FH11NO4
Molecular Weight
227.000000
Exact Mass
227.076516
InChI
InChI=1S/C9H11BFNO4/c1-12(16-2)9(13)6-3-4-8(11)7(5-6)10(14)15/h3-5,14-15H,1-2H3
InChIKey
UIALQZJYMDELNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.33
TPSA
70

LogP / Solubility

WLOGP
-0.86
MLOGP
-0.75
XLogP3
-0.86
Consensus LogP
-0.82
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
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)
-4.72

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

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