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CAS 1374451-83-8 tert-butyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)methylcarbamate molecular structure lightbox
CAS RN: 1374451-83-8

tert-butyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)methylcarbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250513 1g Out of stock 1 business days Inquiry
  • Product code: SSC-047000
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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 1374451-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1374451-83-8 / tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate

Standard CAS: 1374451-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374451-83-8
Multi CAS
No
Molecular Formula
C17H27BN2O4
Molecular Weight
334.200000
Exact Mass
334.206388
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C17H27BN2O4/c1-15(2,3)22-14(21)20-11-13-9-8-12(10-19-13)18-23-16(4,5)17(6,7)24-18/h8-10H,11H2,1-7H3,(H,20,21)
InChIKey
CHYIKVATWKWDCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
93.03
TPSA
69.68

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.41
Consensus LogP
2.32
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
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)
-3.05

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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