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CAS 153737-25-8 3,3-DIETHOXY-1-PROPENYLBORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 153737-25-8

3,3-DIETHOXY-1-PROPENYLBORONIC ACID PINACOL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-063129
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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 153737-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

153737-25-8 / 2-[(E)-3,3-diethoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 153737-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153737-25-8
Multi CAS
No
Molecular Formula
C13H25BO4
Molecular Weight
256.150000
Exact Mass
256.184589
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(OCC)OCC
InChI
InChI=1S/C13H25BO4/c1-7-15-11(16-8-2)9-10-14-17-12(3,4)13(5,6)18-14/h9-11H,7-8H2,1-6H3/b10-9+
InChIKey
ZXGPKUGXWIEUJA-MDZDMXLPSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
72.26
TPSA
36.92

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
2.57
Consensus LogP
2.47
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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