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CAS 16343-08-1 Hexylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 16343-08-1

Hexylboronic Acid (contains varying amounts of Anhydride)

  • Product code: SSC-070994
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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: 10g, 25g
  • 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 16343-08-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

16343-08-1 / hexylboronic acid

Standard CAS: 16343-08-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16343-08-1
Multi CAS
No
Molecular Formula
C6H15BO2
Molecular Weight
130.000000
Exact Mass
130.116510
SMILES
B(CCCCCC)(O)O
InChI
InChI=1S/C6H15BO2/c1-2-3-4-5-6-7(8)9/h8-9H,2-6H2,1H3
InChIKey
CXSYDLCMCLCOCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.14
TPSA
40.46

LogP / Solubility

WLOGP
1.04
MLOGP
0.91
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.77

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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