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CAS 1704095-28-2 4-Methyl-1-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine molecular structure lightbox
CAS RN: 1704095-28-2

4-Methyl-1-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-074979
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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: 0.25g
  • 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 1704095-28-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

1704095-28-2 / 4-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

Standard CAS: 1704095-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1704095-28-2
Multi CAS
No
Molecular Formula
C18H28BNO2
Molecular Weight
301.200000
Exact Mass
301.221309
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCC(CC3)C
InChI
InChI=1S/C18H28BNO2/c1-14-10-12-20(13-11-14)16-8-6-15(7-9-16)19-21-17(2,3)18(4,5)22-19/h6-9,14H,10-13H2,1-5H3
InChIKey
JROXFZIGDHGOQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
92.77
TPSA
21.7

LogP / Solubility

WLOGP
3.22
MLOGP
2.85
XLogP3
3.22
Consensus LogP
3.1
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

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
2.5

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