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CAS 1857348-93-6 (4-METHYL-3-OXO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]OXAZIN-7-YL)BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 1857348-93-6

(4-METHYL-3-OXO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]OXAZIN-7-YL)BORONIC ACID PINACOL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-085993
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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: ≥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 1857348-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1857348-93-6 / 4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[3,2-b][1,4]oxazin-3-one

Standard CAS: 1857348-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1857348-93-6
Multi CAS
No
Molecular Formula
C14H19BN2O4
Molecular Weight
290.120000
Exact Mass
290.143787
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(C(=O)CO3)C
InChI
InChI=1S/C14H19BN2O4/c1-13(2)14(3,4)21-15(20-13)9-6-10-12(16-7-9)17(5)11(18)8-19-10/h6-7H,8H2,1-5H3
InChIKey
HRPOVNIVVHDOBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
78.86
TPSA
60.89

LogP / Solubility

WLOGP
0.74
MLOGP
0.66
XLogP3
0.74
Consensus LogP
0.71
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97

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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