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CAS 1218790-80-7 6-(tert-Butoxycarbonyl(methyl)amino)pyridin-3-ylboronic acid molecular structure lightbox
CAS RN: 1218790-80-7

6-(tert-Butoxycarbonyl(methyl)amino)pyridin-3-ylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251103 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-024664
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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 1218790-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1218790-80-7 / [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]boronic acid

Standard CAS: 1218790-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1218790-80-7
Multi CAS
No
Molecular Formula
C11H17BN2O4
Molecular Weight
252.080000
Exact Mass
252.128137
SMILES
B(C1=CN=C(C=C1)N(C)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C11H17BN2O4/c1-11(2,3)18-10(15)14(4)9-6-5-8(7-13-9)12(16)17/h5-7,16-17H,1-4H3
InChIKey
YUYFBQXOHVMJOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.7
TPSA
82.89

LogP / Solubility

WLOGP
0.13
MLOGP
0.12
XLogP3
0.13
Consensus LogP
0.13
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16

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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