CAS 612833-37-1 Boronic acid, (5-cyano-2-methoxyphenyl)- (9CI) molecular structure

lightbox

CAS RN: 612833-37-1

Boronic acid, (5-cyano-2-methoxyphenyl)- (9CI)

Product code: SSC-170080

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: 5g, 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 612833-37-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥95%	1 In Stock	Hong Kong	Inquiry
0.1g	≥95%	0 Out of Stock	Shenzhen	Inquiry
0.25g	≥95%	0 Out of Stock	Hong Kong	Inquiry
1g	≥95%	0 Out of Stock	Shenzhen	Inquiry

612833-37-1 / (5-cyano-2-methoxyphenyl)boronic acid

Standard CAS: 612833-37-1 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

612833-37-1

Multi CAS

Molecular Formula

BC8H8NO3

Molecular Weight

176.970000

Exact Mass

177.059723

InChI

InChI=1S/C8H8BNO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,11-12H,1H3

InChIKey

LDZCPLGOLLHOON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.12

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

47.53

TPSA

73.48

LogP / Solubility

WLOGP

-0.75

MLOGP

-0.67

XLogP3

-0.75

Consensus LogP

-0.72

Log S (ESOL)

-0.67

Class (ESOL)

Very soluble

Log S (Ali)

-0.47

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.43

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

Low

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.33

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 612833-37-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 612833-37-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.