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CAS 1467057-57-3 tert-butyl 7-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate molecular structure lightbox
CAS RN: 1467057-57-3

tert-butyl 7-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260326 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-057668
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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 1467057-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1467057-57-3 / tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate

Standard CAS: 1467057-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1467057-57-3
Multi CAS
No
Molecular Formula
C19H28BNO5
Molecular Weight
361.200000
Exact Mass
361.206053
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(CCO3)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H28BNO5/c1-17(2,3)24-16(22)21-10-11-23-15-12-13(8-9-14(15)21)20-25-18(4,5)19(6,7)26-20/h8-9,12H,10-11H2,1-7H3
InChIKey
IHOSGMKSKBKOLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
101.23
TPSA
57.23

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
3.12
Consensus LogP
3
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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)
-2.71

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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