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CAS 1453199-87-5 B-[10-(Phenyl-2,3,4,5,6-d5)-9-anthracenyl]boronicacid molecular structure lightbox
CAS RN: 1453199-87-5

B-[10-(Phenyl-2,3,4,5,6-d5)-9-anthracenyl]boronicacid

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250421 100mg Out of stock Inquiry
Batchno.20250719 100mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260212 1g Out of stock Inquiry
Batchno.20260523 250mg Out of stock Inquiry
  • Product code: SSC-056658
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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 1453199-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1453199-87-5 / [10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]boronic acid

Standard CAS: 1453199-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1453199-87-5
Multi CAS
No
Molecular Formula
C20H15BO2
Molecular Weight
303.200000
Exact Mass
303.147894
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C3C=CC=CC3=C(C4=CC=CC=C42)B(O)O)[2H])[2H]
InChI
InChI=1S/C20H15BO2/c22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13,22-23H/i1D,2D,3D,8D,9D
InChIKey
RVPCPPWNSMAZKR-NWCULCSXSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
20
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
96.72
TPSA
40.46

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
3.34
Consensus LogP
3.21
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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