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CAS 1072952-16-9 5-Hexenylboronic acid molecular structure lightbox
CAS RN: 1072952-16-9

5-Hexenylboronic acid

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 1g In stock Inquiry
Batchno.20250723 250mg In stock Inquiry
Batchno.20250326 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250401 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-008819
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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 1072952-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1072952-16-9 / hex-5-enylboronic acid

5-HEXENYLBORONIC ACID | Hex-5-en-1-ylboronic acid | Hex-5-enylboronic acid

Standard CAS: 1072952-16-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1072952-16-9
Multi CAS
No
Molecular Formula
C6H13BO2
Molecular Weight
127.980000
Exact Mass
128.100860
SMILES
B(CCCCC=C)(O)O
InChI
InChI=1S/C6H13BO2/c1-2-3-4-5-6-7(8)9/h2,8-9H,1,3-6H2
InChIKey
JXFKAWIGNACKQN-UHFFFAOYSA-N
Synonyms
5-HEXENYLBORONIC ACID Hex-5-en-1-ylboronic acid Hex-5-enylboronic acid (hex-5-en-1-yl)boronic acid MFCD10567048

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.05
TPSA
40.46

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.82
Consensus LogP
0.78
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-1.2
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)
-2.92

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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