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CAS 72316-18-8 TRANS-2-(4-METHOXYPHENYL)- molecular structure lightbox
CAS RN: 72316-18-8

TRANS-2-(4-METHOXYPHENYL)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-181849
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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: ＞97%
  • 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 72316-18-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

72316-18-8 / [(E)-2-(4-methoxyphenyl)ethenyl]boronic acid

Standard CAS: 72316-18-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72316-18-8
Multi CAS
Yes
Molecular Formula
BC9H11O3
Molecular Weight
177.990000
Exact Mass
178.080124
InChI
InChI=1S/C9H11BO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-7,11-12H,1H3/b7-6+
InChIKey
LGSBCAPDUJYMOQ-VOTSOKGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.22
TPSA
49.69

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.29

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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