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CAS 1534381-85-5 tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]-3,6-dihydro-2H-pyridine-1-carboxylate molecular structure lightbox
CAS RN: 1534381-85-5

tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260225 500mg Out of stock 15 business days Inquiry
  • Product code: SSC-062904
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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 1534381-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1534381-85-5 / tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Standard CAS: 1534381-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1534381-85-5
Multi CAS
No
Molecular Formula
C21H31BN2O4
Molecular Weight
386.300000
Exact Mass
386.237688
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C3=CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H31BN2O4/c1-19(2,3)26-18(25)24-12-10-15(11-13-24)17-9-8-16(14-23-17)22-27-20(4,5)21(6,7)28-22/h8-10,14H,11-13H2,1-7H3
InChIKey
YIXTZLHKLYAMSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
110.35
TPSA
60.89

LogP / Solubility

WLOGP
3.41
MLOGP
3.02
XLogP3
3.41
Consensus LogP
3.28
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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
Yes
Log Kp (skin permeation)
-2.66

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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