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CAS 91011-76-6 4-(DIETHYLAMINO)PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 91011-76-6

4-(DIETHYLAMINO)PHENYLBORONIC ACID

  • Product code: SSC-203801
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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
  • 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 91011-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

91011-76-6 / [4-(diethylamino)phenyl]boronic acid

Standard CAS: 91011-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91011-76-6
Multi CAS
No
Molecular Formula
BC10H16NO2
Molecular Weight
193.050000
Exact Mass
193.127409
InChI
InChI=1S/C10H16BNO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8,13-14H,3-4H2,1-2H3
InChIKey
JEVVHTYCMAMSJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.83
TPSA
43.7

LogP / Solubility

WLOGP
0.21
MLOGP
0.19
XLogP3
0.21
Consensus LogP
0.2
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.75

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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