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CAS 1207443-48-8 4-ETHOXY-2-METHOXYPHENYLBORONIC ACID molecular structure lightbox
CAS RN: 1207443-48-8

4-ETHOXY-2-METHOXYPHENYLBORONIC ACID

  • Product code: SSC-021959
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1207443-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1207443-48-8 / (4-ethoxy-2-methoxyphenyl)boronic acid

(4-Ethoxy-2-methoxyphenyl)boronic acid | 4-ETHOXY-2-METHOXYPHENYLBORONIC ACID | MFCD04037217

Standard CAS: 1207443-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1207443-48-8
Multi CAS
No
Molecular Formula
C9H13BO4
Molecular Weight
196.010000
Exact Mass
196.090689
SMILES
B(C1=C(C=C(C=C1)OCC)OC)(O)O
InChI
InChI=1S/C9H13BO4/c1-3-14-7-4-5-8(10(11)12)9(6-7)13-2/h4-6,11-12H,3H2,1-2H3
InChIKey
WMVVZNXFUFZMPF-UHFFFAOYSA-N
Synonyms
(4-Ethoxy-2-methoxyphenyl)boronic acid 4-ETHOXY-2-METHOXYPHENYLBORONIC ACID MFCD04037217 SCHEMBL3241115 SCHEMBL29951950

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.99
TPSA
58.92

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.2
XLogP3
-0.23
Consensus LogP
-0.22
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
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)
-4.08

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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