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CAS 1534378-15-8 Tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylamino)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1534378-15-8

Tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylamino)piperidine-1-carboxylate

  • Product code: SSC-062903
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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 1534378-15-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1534378-15-8 / tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]piperidine-1-carboxylate

Standard CAS: 1534378-15-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1534378-15-8
Multi CAS
No
Molecular Formula
C22H35BN2O4
Molecular Weight
402.300000
Exact Mass
402.268988
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C22H35BN2O4/c1-20(2,3)27-19(26)25-14-12-18(13-15-25)24-17-10-8-16(9-11-17)23-28-21(4,5)22(6,7)29-23/h8-11,18,24H,12-15H2,1-7H3
InChIKey
GMSOKHYUUMJRGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
116.61
TPSA
60.03

LogP / Solubility

WLOGP
3.8
MLOGP
3.37
XLogP3
3.8
Consensus LogP
3.66
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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