[email protected]
CAS 1025664-35-0 4-(Azetidine-1-carbonyl)phenylboronic Acid molecular structure lightbox
CAS RN: 1025664-35-0

4-(Azetidine-1-carbonyl)phenylboronic Acid

  • Product code: SSC-003811
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
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 1025664-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1025664-35-0 / [4-(azetidine-1-carbonyl)phenyl]boronic acid

(4-(Azetidine-1-carbonyl)phenyl)boronic acid | 4-(Azetidine-1-carbonyl)phenylboronic Acid | [4-(Azetidine-1-carbonyl)phenyl]boronic acid

Standard CAS: 1025664-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1025664-35-0
Multi CAS
No
Molecular Formula
C10H12BNO3
Molecular Weight
205.020000
Exact Mass
205.091023
SMILES
B(C1=CC=C(C=C1)C(=O)N2CCC2)(O)O
InChI
InChI=1S/C10H12BNO3/c13-10(12-6-1-7-12)8-2-4-9(5-3-8)11(14)15/h2-5,14-15H,1,6-7H2
InChIKey
UZBJPDDOQVVNMF-UHFFFAOYSA-N
Synonyms
(4-(Azetidine-1-carbonyl)phenyl)boronic acid 4-(Azetidine-1-carbonyl)phenylboronic Acid [4-(Azetidine-1-carbonyl)phenyl]boronic acid MFCD22200200 Boronic acid, B-[4-(1-azetidinylcarbonyl)phenyl]-

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.79
TPSA
60.77

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.69
XLogP3
-0.79
Consensus LogP
-0.76
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-4.53

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

Customers Also Viewed

Get In Touch

Contact Us