[email protected]
CAS 149777-83-3 2-(4-METHOXYPHENYL)-VINYLBORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 149777-83-3

2-(4-METHOXYPHENYL)-VINYLBORONIC ACID PINACOL ESTER

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250507 1g Out of stock 5-7 business days Inquiry
Batchno.20260104 250mg In stock Shanghai Inquiry
  • Product code: SSC-059717
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: ＞97%
  • 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 149777-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

149777-83-3 / 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 149777-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149777-83-3
Multi CAS
No
Molecular Formula
C15H21BO3
Molecular Weight
260.140000
Exact Mass
260.158375
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)11-10-12-6-8-13(17-5)9-7-12/h6-11H,1-5H3/b11-10+
InChIKey
VXSHTICWQKLRMP-ZHACJKMWSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
78.11
TPSA
27.69

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
3.34
Consensus LogP
3.21
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly 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)
-1.94

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us