[email protected]
CAS 1159489-46-9 4-(1′-CARBOXYL-CYCLOPROPYL)PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 1159489-46-9

4-(1′-CARBOXYL-CYCLOPROPYL)PHENYLBORONIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251016 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-015741
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1159489-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1159489-46-9 / 1-(4-boronophenyl)cyclopropane-1-carboxylic acid

1-(4-boronophenyl)cyclopropane-1-carboxylic acid | DTXSID20675259 | RefChem:224822

Standard CAS: 1159489-46-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159489-46-9
Multi CAS
No
Molecular Formula
C10H11BO4
Molecular Weight
206.000000
Exact Mass
206.075039
SMILES
B(C1=CC=C(C=C1)C2(CC2)C(=O)O)(O)O
InChI
InChI=1S/C10H11BO4/c12-9(13)10(5-6-10)7-1-3-8(4-2-7)11(14)15/h1-4,14-15H,5-6H2,(H,12,13)
InChIKey
PUBSPRJVEBBDPX-UHFFFAOYSA-N
Synonyms
1-(4-boronophenyl)cyclopropane-1-carboxylic acid DTXSID20675259 RefChem:224822 DTXCID60626008 1-(4-Boronophenyl)cyclopropanecarboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
54.82
TPSA
77.76

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.45
XLogP3
-0.52
Consensus LogP
-0.5
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
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)
-4.34

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us