[email protected]
CAS 1339927-45-5 2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol molecular structure lightbox
CAS RN: 1339927-45-5

2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-041167
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: 0.25g
  • 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 1339927-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1339927-45-5 / [2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

Standard CAS: 1339927-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1339927-45-5
Multi CAS
No
Molecular Formula
C13H20BNO3
Molecular Weight
249.120000
Exact Mass
249.153624
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)CO
InChI
InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16/h5-7,16H,8,15H2,1-4H3
InChIKey
WVJWLQOUWQOHRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.49
TPSA
64.71

LogP / Solubility

WLOGP
1.06
MLOGP
0.94
XLogP3
1.06
Consensus LogP
1.02
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-3.49

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