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CAS 115377-93-0 2-(METHOXYMETHOXY)PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 115377-93-0

2-(METHOXYMETHOXY)PHENYLBORONIC ACID

  • Product code: SSC-015129
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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: 0.25g, 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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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 115377-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 5 In Stock Beijing Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
25g >98% 5 In Stock Beijing Inquiry
100g >98% 5 In Stock Shenzhen Inquiry
500g >98% 5 In Stock Hong Kong Inquiry

115377-93-0 / [2-(methoxymethoxy)phenyl]boronic acid

2-(METHOXYMETHOXY)PHENYLBORONIC ACID | DTXSID80447196 | RefChem:254253

Standard CAS: 115377-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
115377-93-0
Multi CAS
No
Molecular Formula
C8H11BO4
Molecular Weight
181.980000
Exact Mass
182.075039
SMILES
B(C1=CC=CC=C1OCOC)(O)O
InChI
InChI=1S/C8H11BO4/c1-12-6-13-8-5-3-2-4-7(8)9(10)11/h2-5,10-11H,6H2,1H3
InChIKey
SPJBOWONADYEPF-UHFFFAOYSA-N
Synonyms
2-(METHOXYMETHOXY)PHENYLBORONIC ACID DTXSID80447196 RefChem:254253 DTXCID20398017 [2-(methoxymethoxy)phenyl]boronic Acid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.77
TPSA
58.92

LogP / Solubility

WLOGP
-0.65
MLOGP
-0.57
XLogP3
-0.65
Consensus LogP
-0.62
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
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)
-4.29

Drug-likeness / Medicinal Chemistry

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

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